General Information of the Compound
| Compound ID |
CP0460206
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| Compound Name |
2-(4-benzoylpiperazin-1-yl)-N-benzyl-4-(cyclopropylamino)pyrimidine-5-carboxamide
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| Structure |
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| Formula |
C26H28N6O2
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| Molecular Weight |
456.55
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| Canonical SMILES |
O=C(NCc1ccccc1)c1cnc(nc1NC1CC1)N1CCN(CC1)C(=O)c1ccccc1
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| InChI |
InChI=1S/C26H28N6O2/c33-24(27-17-19-7-3-1-4-8-19)22-18-28-26(30-23(22)29-21-11-12-21)32-15-13-31(14-16-32)25(34)20-9-5-2-6-10-20/h1-10,18,21H,11-17H2,(H,27,33)(H,28,29,30)
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| InChIKey |
HNOBYWZQMVJKNE-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