General Information of the Compound
| Compound ID |
CP0445943
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| Compound Name |
9-(6-chloropyridin-3-yl)-N-[(4,5-difluoro-1H-benzimidazol-2-yl)methyl]-2-(4-methylpiperazin-1-yl)purin-6-amine
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| Structure |
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| Formula |
C23H21ClF2N10
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| Molecular Weight |
510.94
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| Canonical SMILES |
CN1CCN(CC1)c1nc(NCc2nc3c(F)c(F)ccc3[nH]2)c2ncn(-c3ccc(Cl)nc3)c2n1
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| InChI |
InChI=1S/C23H21ClF2N10/c1-34-6-8-35(9-7-34)23-32-21(28-11-17-30-15-4-3-14(25)18(26)19(15)31-17)20-22(33-23)36(12-29-20)13-2-5-16(24)27-10-13/h2-5,10,12H,6-9,11H2,1H3,(H,30,31)(H,28,32,33)
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| InChIKey |
QZRFXTHPNSJJRZ-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
Protein ID: PT01351, Casein kinase I isoform delta
Protein ID: PT01551, Casein kinase I isoform epsilon