General Information of the Compound
| Compound ID |
CP0644898
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| Compound Name |
(S)-6-(1H-Benzo[d]imidazol-1-yl)-N-(5-(2,4-dimethylpiperazin-1-yl)pyridin-2-yl)pyrimidin-4-amine
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| Structure |
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| Formula |
C22H24N8
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| Molecular Weight |
400.49
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| Canonical SMILES |
C[C@H]1CN(C)CCN1c1ccc(Nc2cc(-n3cnc4ccccc43)ncn2)nc1
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| InChI |
InChI=1S/C22H24N8/c1-16-13-28(2)9-10-29(16)17-7-8-20(23-12-17)27-21-11-22(25-14-24-21)30-15-26-18-5-3-4-6-19(18)30/h3-8,11-12,14-16H,9-10,13H2,1-2H3,(H,23,24,25,27)/t16-/m0/s1
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| InChIKey |
NLHYGQYUFSGNSW-INIZCTEOSA-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