General Information of the Compound
| Compound ID |
CP0360938
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| Compound Name |
(8R,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13,14-trimethyl-17-[2-(1-methylbenzimidazol-2-yl)sulfanylacetyl]-1,2,6,7,8,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-3-one
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| Structure |
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| Formula |
C30H38N2O4S
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| Molecular Weight |
522.711
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| Canonical SMILES |
Cn1c(SCC(=O)[C@@]2(O)CC[C@@]3(C)[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O)C[C@]23C)nc2ccccc12
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| InChI |
InChI=1S/C30H38N2O4S/c1-27-12-11-19(33)15-18(27)9-10-20-25(27)23(34)16-29(3)28(20,2)13-14-30(29,36)24(35)17-37-26-31-21-7-5-6-8-22(21)32(26)4/h5-8,15,20,23,25,34,36H,9-14,16-17H2,1-4H3/t20-,23+,25-,27+,28+,29+,30+/m1/s1
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| InChIKey |
NEPZSVKZUQUWAH-GVRKOPHQSA-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