General Information of the Compound
| Compound ID |
CP0574980
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| Compound Name |
4-[[(3aS,9R,9aR)-4-(5-phenyl-1,3,4-oxadiazol-2-yl)-1,2,3,3a,9,9a-hexahydrocyclopenta[b]quinolin-9-yl]-cyclopropylamino]-4-oxobutanoic acid
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| Structure |
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| Formula |
C27H28N4O4
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| Molecular Weight |
472.545
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| Canonical SMILES |
OC(=O)CCC(=O)N(C1CC1)[C@@H]1[C@@H]2CCC[C@@H]2N(c2nnc(o2)-c2ccccc2)c2ccccc12
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| InChI |
InChI=1S/C27H28N4O4/c32-23(15-16-24(33)34)30(18-13-14-18)25-19-9-4-5-11-21(19)31(22-12-6-10-20(22)25)27-29-28-26(35-27)17-7-2-1-3-8-17/h1-5,7-9,11,18,20,22,25H,6,10,12-16H2,(H,33,34)/t20-,22+,25+/m1/s1
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| InChIKey |
PWLXLYBQSUHDSX-KJWPAHLWSA-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