General Information of the Compound
| Compound ID |
CP0535213
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| Compound Name |
N-[3-[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]phenyl]benzamide
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| Structure |
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| Formula |
C23H26N2O2
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| Molecular Weight |
362.473
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| Canonical SMILES |
O=C(Nc1cccc(c1)C(=O)N1CCC[C@@H]2CCCC[C@@H]12)c1ccccc1
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| InChI |
InChI=1S/C23H26N2O2/c26-22(18-9-2-1-3-10-18)24-20-13-6-11-19(16-20)23(27)25-15-7-12-17-8-4-5-14-21(17)25/h1-3,6,9-11,13,16-17,21H,4-5,7-8,12,14-15H2,(H,24,26)/t17-,21+/m0/s1
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| InChIKey |
YPDLBVCPCFRNSB-LAUBAEHRSA-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