General Information of the Compound
| Compound ID |
CP0154358
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| Compound Name |
(8S,9S,10R,11S,13S,14S,17R)-11,17-dihydroxy-10,13-dimethyl-17-(2-pyridin-2-ylsulfanylacetyl)-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 |
C26H33NO4S
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| Molecular Weight |
455.62
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| Canonical SMILES |
C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@]34C)[C@@H]1CC[C@]2(O)C(=O)CSc1ccccn1
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| InChI |
InChI=1S/C26H33NO4S/c1-24-10-8-17(28)13-16(24)6-7-18-19-9-11-26(31,25(19,2)14-20(29)23(18)24)21(30)15-32-22-5-3-4-12-27-22/h3-5,12-13,18-20,23,29,31H,6-11,14-15H2,1-2H3/t18-,19-,20-,23+,24-,25-,26-/m0/s1
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| InChIKey |
WXJFAXYGUMBPPE-FZNHGJLXSA-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