General Information of the Compound
| Compound ID |
CP0947210
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| Compound Name |
(8R,9S,10R,13S)-10,13-dimethyl-17-(pyridin-3-yl)-6,7,8,9,10,11,12,13-octahydro-3H-cyclopenta[a]phenanthren-3-one
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| Structure |
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| Formula |
C24H25NO
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| Molecular Weight |
343.47
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| Canonical SMILES |
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)C=C[C@@]43C)C1=CC=C2c1cccnc1
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| InChI |
InChI=1S/C24H25NO/c1-23-11-9-18(26)14-17(23)5-6-19-21-8-7-20(16-4-3-13-25-15-16)24(21,2)12-10-22(19)23/h3-4,7-9,11,13-15,19,22H,5-6,10,12H2,1-2H3/t19-,22-,23-,24+/m0/s1
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| InChIKey |
VALFUWXUJPYMHH-ZNEWLNCYSA-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