General Information of the Compound
| Compound ID |
CP0938761
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| Compound Name |
N-(2-(4-(4-chlorobenzoyl)piperazin-1-yl)phenyl)pyrimidine-2-carboxamide
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| Structure |
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| Formula |
C22H20ClN5O2
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| Molecular Weight |
421.888
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| Canonical SMILES |
O=C(Nc1ccccc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1)c1ncccn1
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| InChI |
InChI=1S/C22H20ClN5O2/c23-17-8-6-16(7-9-17)22(30)28-14-12-27(13-15-28)19-5-2-1-4-18(19)26-21(29)20-24-10-3-11-25-20/h1-11H,12-15H2,(H,26,29)
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| InChIKey |
XMKHDQVJZVWGCR-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