General Information of the Compound
| Compound ID |
CP0564637
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| Compound Name |
(2R)-2-[(1R,4R,4aR,8aR)-4-methyl-7-oxo-2,3,4,4a,8,8a-hexahydro-1H-naphthalen-1-yl]-N-(4-chloro-3-pyridin-2-ylphenyl)propanamide
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| Structure |
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| Formula |
C25H27ClN2O2
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| Molecular Weight |
422.956
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| Canonical SMILES |
C[C@H]([C@@H]1CC[C@@H](C)[C@@H]2C=CC(=O)C[C@H]12)C(=O)Nc1ccc(Cl)c(c1)-c1ccccn1
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| InChI |
InChI=1S/C25H27ClN2O2/c1-15-6-9-20(21-14-18(29)8-10-19(15)21)16(2)25(30)28-17-7-11-23(26)22(13-17)24-5-3-4-12-27-24/h3-5,7-8,10-13,15-16,19-21H,6,9,14H2,1-2H3,(H,28,30)/t15-,16-,19+,20+,21+/m1/s1
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| InChIKey |
VTWLMYAQHOTLFJ-QANQIFJLSA-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