General Information of the Compound
| Compound ID |
CP0413735
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| Compound Name |
5-(4-chloro-3-methylphenyl)-N-[(1S)-1-cyclohexylethyl]-1-[(4-methylphenyl)methyl]pyrrole-3-carboxamide
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| Structure |
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| Formula |
C28H33ClN2O
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| Molecular Weight |
449.038
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| Canonical SMILES |
C[C@H](NC(=O)c1cc(-c2ccc(Cl)c(C)c2)n(Cc2ccc(C)cc2)c1)C1CCCCC1
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| InChI |
InChI=1S/C28H33ClN2O/c1-19-9-11-22(12-10-19)17-31-18-25(16-27(31)24-13-14-26(29)20(2)15-24)28(32)30-21(3)23-7-5-4-6-8-23/h9-16,18,21,23H,4-8,17H2,1-3H3,(H,30,32)/t21-/m0/s1
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| InChIKey |
RQUJDHMEYAJNQY-NRFANRHFSA-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