General Information of the Compound
| Compound ID |
CP0483514
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| Compound Name |
O-[(3S,8R,9S,10R,13S,14S)-17-(benzimidazol-1-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] imidazole-1-carbothioate
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| Structure |
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| Formula |
C30H34N4OS
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| Molecular Weight |
498.696
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| Canonical SMILES |
C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](CC[C@]34C)OC(=S)n3ccnc3)[C@@H]1CC=C2n1cnc2ccccc12
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| InChI |
InChI=1S/C30H34N4OS/c1-29-13-11-21(35-28(36)33-16-15-31-18-33)17-20(29)7-8-22-23-9-10-27(30(23,2)14-12-24(22)29)34-19-32-25-5-3-4-6-26(25)34/h3-7,10,15-16,18-19,21-24H,8-9,11-14,17H2,1-2H3/t21-,22-,23-,24-,29-,30-/m0/s1
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| InChIKey |
ZUSHNQSVLHSWIN-CNRUGTJDSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound