General Information of the Compound
| Compound ID |
CP0864962
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| Compound Name |
(3S,8R,9S,10R,13S)-17-(5-methoxypyridin-3-yl)-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13-decahydro-1H-cyclopenta[a]phenanthren-3-ol
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| Structure |
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| Formula |
C25H31NO2
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| Molecular Weight |
377.528
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| Canonical SMILES |
COc1cncc(C2=CC=C3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)c1
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| InChI |
InChI=1S/C25H31NO2/c1-24-10-8-18(27)13-17(24)4-5-20-22-7-6-21(25(22,2)11-9-23(20)24)16-12-19(28-3)15-26-14-16/h4,6-7,12,14-15,18,20,23,27H,5,8-11,13H2,1-3H3/t18-,20-,23-,24-,25+/m0/s1
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| InChIKey |
KAKRGGJZNPDGKM-WAERYOPHSA-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