General Information of the Compound
| Compound ID |
CP0154360
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| Compound Name |
(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-17-[2-(6-methylpyridin-2-yl)sulfanylacetyl]-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
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| Structure |
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| Formula |
C27H35NO4S
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| Molecular Weight |
469.647
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| Canonical SMILES |
Cc1cccc(SCC(=O)[C@@]2(O)CC[C@H]3[C@@H]4CCC5=CC(=O)CC[C@]5(C)[C@H]4[C@@H](O)C[C@]23C)n1
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| InChI |
InChI=1S/C27H35NO4S/c1-16-5-4-6-23(28-16)33-15-22(31)27(32)12-10-20-19-8-7-17-13-18(29)9-11-25(17,2)24(19)21(30)14-26(20,27)3/h4-6,13,19-21,24,30,32H,7-12,14-15H2,1-3H3/t19-,20-,21-,24+,25-,26-,27-/m0/s1
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| InChIKey |
VWZSOSFXYJBTSQ-FOMYWIRZSA-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