General Information of the Compound
| Compound ID |
CP0492189
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| Compound Name |
(2S)-N-[4-(4-chlorophenoxy)phenyl]-2-[[2-(1H-imidazol-5-yl)acetyl]amino]-3-phenylpropanamide
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| Structure |
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| Formula |
C26H23ClN4O3
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| Molecular Weight |
474.948
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| Canonical SMILES |
Clc1ccc(Oc2ccc(NC(=O)[C@H](Cc3ccccc3)NC(=O)Cc3cnc[nH]3)cc2)cc1
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| InChI |
InChI=1S/C26H23ClN4O3/c27-19-6-10-22(11-7-19)34-23-12-8-20(9-13-23)30-26(33)24(14-18-4-2-1-3-5-18)31-25(32)15-21-16-28-17-29-21/h1-13,16-17,24H,14-15H2,(H,28,29)(H,30,33)(H,31,32)/t24-/m0/s1
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| InChIKey |
SAHRVWMBWCPLGU-DEOSSOPVSA-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