General Information of the Compound
| Compound ID |
CP0542929
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| Compound Name |
2-[[(3aS,9R,9aR)-4-phenylmethoxycarbonyl-1,2,3,3a,9,9a-hexahydrocyclopenta[b]quinolin-9-yl]-ethylamino]-1,3-thiazole-4-carboxylic acid
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| Structure |
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| Formula |
C26H27N3O4S
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| Molecular Weight |
477.586
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| Canonical SMILES |
CCN([C@@H]1[C@@H]2CCC[C@@H]2N(C(=O)OCc2ccccc2)c2ccccc12)c1nc(cs1)C(O)=O
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| InChI |
InChI=1S/C26H27N3O4S/c1-2-28(25-27-20(16-34-25)24(30)31)23-18-11-6-7-13-21(18)29(22-14-8-12-19(22)23)26(32)33-15-17-9-4-3-5-10-17/h3-7,9-11,13,16,19,22-23H,2,8,12,14-15H2,1H3,(H,30,31)/t19-,22+,23+/m1/s1
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| InChIKey |
GMCWHAWAADDLCC-OIBXWCBGSA-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