General Information of the Compound
| Compound ID |
CP0547148
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| Compound Name |
4-[[(3aS,9R,9aR)-4-phenylmethoxycarbonyl-1,2,3,3a,9,9a-hexahydrocyclopenta[b]quinolin-9-yl]-cyclopropylamino]-2,2-dimethyl-4-oxobutanoic acid
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| Structure |
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| Formula |
C29H34N2O5
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| Molecular Weight |
490.6
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| Canonical SMILES |
CC(C)(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/C29H34N2O5/c1-29(2,27(33)34)17-25(32)30(20-15-16-20)26-21-11-6-7-13-23(21)31(24-14-8-12-22(24)26)28(35)36-18-19-9-4-3-5-10-19/h3-7,9-11,13,20,22,24,26H,8,12,14-18H2,1-2H3,(H,33,34)/t22-,24+,26+/m1/s1
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| InChIKey |
SGXRDFNGXSGBQZ-CWDLOFLHSA-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