General Information of the Compound
| Compound ID |
CP0863061
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| Compound Name |
(8R,9S,10R,13S,14S)-10,13-dimethyl-17-(pyridin-3-yl)-2,3,5,6,7,8,9,11,12,13,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-4(10H)-one
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| Structure |
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| Formula |
C24H31NO
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| Molecular Weight |
349.518
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| Canonical SMILES |
C[C@]12CCCC(=O)C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(c3cccnc3)=CC[C@@H]12
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| InChI |
InChI=1S/C24H31NO/c1-23-12-3-6-22(26)21(23)8-7-17-19-10-9-18(16-5-4-14-25-15-16)24(19,2)13-11-20(17)23/h4-5,9,14-15,17,19-21H,3,6-8,10-13H2,1-2H3/t17-,19-,20-,21?,23+,24+/m0/s1
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| InChIKey |
MOAITADYVRMUCR-UKXDMNMGSA-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