General Information of the Compound
| Compound ID |
CP0525177
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| Compound Name |
(4-(4-(2,4-dichlorobenzylamino)pyrimidin-2-yl)piperazin-1-yl)(azetidin-3-yl)methanone
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| Structure |
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| Formula |
C19H22Cl2N6O
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| Molecular Weight |
421.332
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| Canonical SMILES |
Clc1ccc(CNc2ccnc(n2)N2CCN(CC2)C(=O)C2CNC2)c(Cl)c1
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| InChI |
InChI=1S/C19H22Cl2N6O/c20-15-2-1-13(16(21)9-15)12-24-17-3-4-23-19(25-17)27-7-5-26(6-8-27)18(28)14-10-22-11-14/h1-4,9,14,22H,5-8,10-12H2,(H,23,24,25)
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| InChIKey |
YBBNVJIUVOVLMY-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