General Information of the Compound
| Compound ID |
CP0882917
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| Compound Name |
(3S,8R,9S,10R,13S)-10,13-dimethyl-17-(4-methylpyridin-3-yl)-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 |
C25H31NO
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| Molecular Weight |
361.529
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| Canonical SMILES |
Cc1ccncc1C1=CC=C2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
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| InChI |
InChI=1S/C25H31NO/c1-16-10-13-26-15-20(16)22-7-6-21-19-5-4-17-14-18(27)8-11-24(17,2)23(19)9-12-25(21,22)3/h4,6-7,10,13,15,18-19,23,27H,5,8-9,11-12,14H2,1-3H3/t18-,19-,23-,24-,25-/m0/s1
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| InChIKey |
XAFGDJBGQRTFAX-ZGTHKHSNSA-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