General Information of the Compound
| Compound ID |
CP0464678
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| Compound Name |
(4-(4-(2,4-dichlorobenzylamino)pyrimidin-2-yl)piperazin-1-yl)(piperidin-3-yl)methanone
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| Structure |
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| Formula |
C21H26Cl2N6O
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| Molecular Weight |
449.386
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| Canonical SMILES |
Clc1ccc(CNc2ccnc(n2)N2CCN(CC2)C(=O)C2CCCNC2)c(Cl)c1
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| InChI |
InChI=1S/C21H26Cl2N6O/c22-17-4-3-15(18(23)12-17)14-26-19-5-7-25-21(27-19)29-10-8-28(9-11-29)20(30)16-2-1-6-24-13-16/h3-5,7,12,16,24H,1-2,6,8-11,13-14H2,(H,25,26,27)
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| InChIKey |
IXTOKIZPRAETKJ-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