General Information of the Compound
| Compound ID |
CP0572838
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| Compound Name |
6-[(4-chlorophenyl)-imidazol-1-ylmethyl]-4-[(1R,2S)-2-phenylcyclopropyl]-1H-quinolin-2-one
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| Structure |
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| Formula |
C28H22ClN3O
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| Molecular Weight |
451.957
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| Canonical SMILES |
Clc1ccc(cc1)C(c1ccc2[nH]c(=O)cc([C@@H]3C[C@@H]3c3ccccc3)c2c1)n1ccnc1
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| InChI |
InChI=1S/C28H22ClN3O/c29-21-9-6-19(7-10-21)28(32-13-12-30-17-32)20-8-11-26-25(14-20)24(16-27(33)31-26)23-15-22(23)18-4-2-1-3-5-18/h1-14,16-17,22-23,28H,15H2,(H,31,33)/t22-,23-,28?/m1/s1
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| InChIKey |
JNGARJLVAQERBE-TXUOUNKJSA-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