General Information of the Compound
| Compound ID |
CP0442868
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| Compound Name |
(4-(2-(2,4-dichlorobenzylamino)pyrimidin-4-yl)piperazin-1-yl)(1-methylpiperidin-3-yl)methanone
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| Structure |
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| Formula |
C22H28Cl2N6O
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| Molecular Weight |
463.413
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| Canonical SMILES |
CN1CCCC(C1)C(=O)N1CCN(CC1)c1ccnc(NCc2ccc(Cl)cc2Cl)n1
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| InChI |
InChI=1S/C22H28Cl2N6O/c1-28-8-2-3-17(15-28)21(31)30-11-9-29(10-12-30)20-6-7-25-22(27-20)26-14-16-4-5-18(23)13-19(16)24/h4-7,13,17H,2-3,8-12,14-15H2,1H3,(H,25,26,27)
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| InChIKey |
IADXPPFDWZYQLH-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