General Information of the Compound
| Compound ID |
CP0511773
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| Compound Name |
4-[[(3aS,9R,9aR)-4-phenylmethoxycarbonyl-1,2,3,3a,9,9a-hexahydrocyclopenta[b]quinolin-9-yl]-cyclopropylamino]-2-methyl-4-oxobutanoic acid
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| Structure |
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| Formula |
C28H32N2O5
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| Molecular Weight |
476.573
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| Canonical SMILES |
CC(CC(=O)N(C1CC1)[C@@H]1[C@@H]2CCC[C@@H]2N(C(=O)OCc2ccccc2)c2ccccc12)C(O)=O
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| InChI |
InChI=1S/C28H32N2O5/c1-18(27(32)33)16-25(31)29(20-14-15-20)26-21-10-5-6-12-23(21)30(24-13-7-11-22(24)26)28(34)35-17-19-8-3-2-4-9-19/h2-6,8-10,12,18,20,22,24,26H,7,11,13-17H2,1H3,(H,32,33)/t18?,22-,24+,26+/m1/s1
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| InChIKey |
IRJLMDCDAHZCBR-SSPNSNKQSA-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