General Information of the Compound
| Compound ID |
CP0506224
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| Compound Name |
2-(1-(2-chlorophenyl)-5-(4-chlorophenyl)-4-(cyanomethyl)-1H-pyrazole-3-carboxamido)-3-phenylpropanoic acid
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| Structure |
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| Formula |
C27H20Cl2N4O3
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| Molecular Weight |
519.388
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| Canonical SMILES |
OC(=O)C(Cc1ccccc1)NC(=O)c1nn(c(c1CC#N)-c1ccc(Cl)cc1)-c1ccccc1Cl
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| InChI |
InChI=1S/C27H20Cl2N4O3/c28-19-12-10-18(11-13-19)25-20(14-15-30)24(32-33(25)23-9-5-4-8-21(23)29)26(34)31-22(27(35)36)16-17-6-2-1-3-7-17/h1-13,22H,14,16H2,(H,31,34)(H,35,36)
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| InChIKey |
PKNQOWYTLLPMSG-UHFFFAOYSA-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