General Information of the Compound
| Compound ID |
CP0870396
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| Compound Name |
(8R,9S,10S,13S,14S)-10,13-dimethyl-6-methylene-17-(pyridin-3-yl)-6,7,8,9,10,11,12,13,14,15-decahydro-3H-cyclopenta[a]phenanthren-3-one
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| Structure |
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| Formula |
C25H27NO
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| Molecular Weight |
357.497
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| Canonical SMILES |
C=C1C[C@@H]2[C@H](CC[C@]3(C)C(c4cccnc4)=CC[C@@H]23)[C@@]2(C)C=CC(=O)C=C12
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| InChI |
InChI=1S/C25H27NO/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/h4-6,8,10,12,14-15,19,21-22H,1,7,9,11,13H2,2-3H3/t19-,21-,22-,24+,25+/m0/s1
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| InChIKey |
ITYSZDRJZWFZBA-WRUJZFPBSA-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