General Information of the Compound
| Compound ID |
CP0429440
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| Compound Name |
(2S)-N-[4-(4-chlorophenoxy)phenyl]-2-[[2-(1H-imidazol-5-yl)acetyl]amino]propanamide
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| Structure |
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| Formula |
C20H19ClN4O3
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| Molecular Weight |
398.85
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| Canonical SMILES |
C[C@H](NC(=O)Cc1cnc[nH]1)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1
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| InChI |
InChI=1S/C20H19ClN4O3/c1-13(24-19(26)10-16-11-22-12-23-16)20(27)25-15-4-8-18(9-5-15)28-17-6-2-14(21)3-7-17/h2-9,11-13H,10H2,1H3,(H,22,23)(H,24,26)(H,25,27)/t13-/m0/s1
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| InChIKey |
MAFFOFLXTKCIIH-ZDUSSCGKSA-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