General Information of the Compound
| Compound ID |
CP0895916
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| Compound Name |
(9S,8R,10R,13S,14S)-6,10,13-trimethyl-17-(pyridin-3-yl)-6,7,8,9,10,11,12,13,14,15-decahydro-1H-cyclopenta[a]phenanthren-3(2H)-one
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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 |
CC1C[C@@H]2[C@H](CC[C@]3(C)C(c4cccnc4)=CC[C@@H]23)[C@@]2(C)CCC(=O)C=C12
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| InChI |
InChI=1S/C25H31NO/c1-16-13-19-21-7-6-20(17-5-4-12-26-15-17)24(21,2)11-9-22(19)25(3)10-8-18(27)14-23(16)25/h4-6,12,14-16,19,21-22H,7-11,13H2,1-3H3/t16?,19-,21-,22-,24+,25+/m0/s1
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| InChIKey |
UHGHCTMMNLVNEP-JBLUOUMSSA-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