General Information of the Compound
| Compound ID |
CP0888268
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| Compound Name |
(5aR,5bS,7aS,10aS,10bR)-5a,7a-dimethyl-8-(pyridin-3-yl)-3,4,5,5a,5b,6,7,7a,10,10a,10b,11-dodecahydro-2H-spiro[cyclopenta[5,6]naphtho[1,2-d]azepine-12,1'-cyclopropan]-2-one
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| Structure |
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| Formula |
C26H32N2O
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| Molecular Weight |
388.555
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| Canonical SMILES |
C[C@]12CCNC(=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/C26H32N2O/c1-24-8-7-21-18(20(24)6-5-19(24)17-4-3-12-27-16-17)15-26(9-10-26)22-14-23(29)28-13-11-25(21,22)2/h3-5,12,14,16,18,20-21H,6-11,13,15H2,1-2H3,(H,28,29)/t18-,20-,21-,24+,25+/m0/s1
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| InChIKey |
NHIPHNIGYNRZDH-XPMKPVRUSA-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