General Information of the Compound
| Compound ID |
CP0548564
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| Compound Name |
1-[4-(3-chlorophenyl)benzoyl]-N,N-dimethyl-4-pyrimidin-2-ylpiperazine-2-carboxamide
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| Structure |
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| Formula |
C24H24ClN5O2
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| Molecular Weight |
449.942
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| Canonical SMILES |
CN(C)C(=O)C1CN(CCN1C(=O)c1ccc(cc1)-c1cccc(Cl)c1)c1ncccn1
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| InChI |
InChI=1S/C24H24ClN5O2/c1-28(2)23(32)21-16-29(24-26-11-4-12-27-24)13-14-30(21)22(31)18-9-7-17(8-10-18)19-5-3-6-20(25)15-19/h3-12,15,21H,13-14,16H2,1-2H3
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| InChIKey |
RTTLZSSZKSRTED-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