General Information of the Compound
| Compound ID |
CP0940806
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| Compound Name |
(8S,9S,10R,13S,14S)-10,13-dimethyl-17-(pyridin-3-yl)-7,8,9,11,12,13,14,15-octahydrospiro[cyclopenta[a]phenanthrene-6,1'-cyclopropan]-3(10H)-one
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| Structure |
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| Formula |
C26H29NO
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| Molecular Weight |
371.524
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| Canonical SMILES |
C[C@]12C=CC(=O)C=C1C1(CC1)C[C@@H]1[C@@H]2CC[C@]2(C)C(c3cccnc3)=CC[C@@H]12
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| InChI |
InChI=1S/C26H29NO/c1-24-10-8-22-19(21(24)6-5-20(24)17-4-3-13-27-16-17)15-26(11-12-26)23-14-18(28)7-9-25(22,23)2/h3-5,7,9,13-14,16,19,21-22H,6,8,10-12,15H2,1-2H3/t19-,21-,22-,24+,25+/m0/s1
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| InChIKey |
TWCKCVMGTLFGIN-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