General Information of the Compound
| Compound ID |
CP0451086
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| Compound Name |
N-benzyl-2-(4-benzylpiperazin-1-yl)-4-(cyclopropylamino)pyrimidine-5-carboxamide
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| Structure |
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| Formula |
C26H30N6O
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| Molecular Weight |
442.567
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| Canonical SMILES |
O=C(NCc1ccccc1)c1cnc(nc1NC1CC1)N1CCN(Cc2ccccc2)CC1
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| InChI |
InChI=1S/C26H30N6O/c33-25(27-17-20-7-3-1-4-8-20)23-18-28-26(30-24(23)29-22-11-12-22)32-15-13-31(14-16-32)19-21-9-5-2-6-10-21/h1-10,18,22H,11-17,19H2,(H,27,33)(H,28,29,30)
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| InChIKey |
AAOJXBHVOGTPTG-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