Mrv1909 12232016202D 49 54 0 0 1 0 999 V2000 -1.7514 -1.8746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0063 -2.6593 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2613 -3.4439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0682 -3.6154 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.3232 -4.4000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1302 -4.5716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6203 -3.0023 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.4272 -3.1738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3653 -2.2177 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.9174 -1.6046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5584 -2.0462 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3034 -1.2615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1994 -2.4877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3924 -2.3162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4146 -2.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6695 -1.3601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4765 -1.1885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0285 -1.8016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8535 -1.8016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4056 -1.1885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2125 -1.3601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4675 -2.1447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9154 -2.7578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1085 -2.5862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4410 -3.0712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1555 -3.4837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1555 -4.3087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4410 -4.7212 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7266 -4.3087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7266 -3.4837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4410 -5.5462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7266 -5.9587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1555 -5.9587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7736 -2.5862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9666 -2.7578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2744 -2.3162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0814 -2.4877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8884 -2.6593 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3364 -3.2723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4404 -2.0462 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2474 -2.2177 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7994 -1.6046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5445 -0.8200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5023 -3.0023 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3093 -3.1738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9503 -3.6154 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2052 -4.4000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1433 -3.4439 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5913 -4.0570 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 6 0 0 0 2 3 1 0 0 0 0 4 3 1 0 0 0 0 4 5 1 6 0 0 0 5 6 1 0 0 0 0 7 4 1 0 0 0 0 7 8 1 1 0 0 0 7 9 1 0 0 0 0 9 10 1 6 0 0 0 9 11 1 0 0 0 0 11 2 1 0 0 0 0 11 12 1 6 0 0 0 2 13 1 0 0 0 0 13 14 3 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 19 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 25 30 1 0 0 0 0 28 31 1 0 0 0 0 31 32 1 0 0 0 0 31 33 2 0 0 0 0 25 34 1 0 0 0 0 18 34 1 0 0 0 0 34 35 2 0 0 0 0 15 35 1 0 0 0 0 22 36 1 0 0 0 0 36 37 3 0 0 0 0 38 37 1 0 0 0 0 38 39 1 6 0 0 0 38 40 1 0 0 0 0 41 40 1 0 0 0 0 41 42 1 6 0 0 0 42 43 1 0 0 0 0 44 41 1 0 0 0 0 44 45 1 1 0 0 0 44 46 1 0 0 0 0 46 47 1 6 0 0 0 46 48 1 0 0 0 0 48 38 1 0 0 0 0 48 49 1 6 0 0 0 M END > DB16400 > drugbank > [H][C@@]1(O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O)C#CC1=CC=C2C3=CC=C(C=C3C3(CCN(CC3)C(C)=O)C2=C1)C#C[C@@]1([H])O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O > InChI=1S/C35H39NO11/c1-18(39)36-12-10-35(11-13-36)23-14-19(4-8-25-29(40)33(44)31(42)27(16-37)46-25)2-6-21(23)22-7-3-20(15-24(22)35)5-9-26-30(41)34(45)32(43)28(17-38)47-26/h2-3,6-7,14-15,25-34,37-38,40-45H,10-13,16-17H2,1H3/t25-,26-,27-,28-,29-,30-,31-,32-,33-,34-/m1/s1 > SFHMWDMKUYVSQJ-VECBPBMLSA-N > C35H39NO11 > 649.693 > 649.25231108 > 11 > 86 > -1.5176937356625877e-05 > 70.13776386115711 > 0 > 8 > 0 > 0 > 1-[2,7-bis({2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl})spiro[fluorene-9,4'-piperidin]-1'-yl]ethan-1-one > 0.15 > -1.7708701780000005 > -4.20 > 1 > 0 > 6 > 0 > 12.650003055156724 > 12.148403994227406 > -2.9798847033096 > 200.60999999999999 > 172.688 > 6 > 0 > 4.11e-02 g/l > N-{4-[(2S)-2-[(2S)-2-[(methoxycarbonyl)amino]-3-phenylpropanamido]-2-[2-(thiophen-2-yl)-1,3-thiazol-4-yl]ethyl]phenyl}sulfamic acid > 0 > DB16400 > investigational > Sibofimloc > Sibofimloc $$$$