General Information of the Compound
| Compound ID |
CP0547147
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| Compound Name |
N-[(3aS,9R,9aR)-4-benzoyl-1,2,3,3a,9,9a-hexahydrocyclopenta[b]quinolin-9-yl]-N-ethylacetamide
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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 |
CCN([C@@H]1[C@@H]2CCC[C@@H]2N(C(=O)c2ccccc2)c2ccccc12)C(C)=O
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| InChI |
InChI=1S/C23H26N2O2/c1-3-24(16(2)26)22-18-12-7-8-14-20(18)25(21-15-9-13-19(21)22)23(27)17-10-5-4-6-11-17/h4-8,10-12,14,19,21-22H,3,9,13,15H2,1-2H3/t19-,21+,22+/m1/s1
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| InChIKey |
BVMIUSZMZXBNPA-HJNYFJLDSA-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