General Information of the Compound
| Compound ID |
CP0199004
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| Compound Name |
N-(2-chloro-6-methylphenyl)-1-[6-[[4-(morpholin-4-ylmethyl)pyridin-2-yl]amino]pyrimidin-4-yl]benzimidazol-2-amine
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| Structure |
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| Formula |
C28H27ClN8O
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| Molecular Weight |
527.032
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| Canonical SMILES |
Cc1cccc(Cl)c1Nc1nc2ccccc2n1-c1cc(Nc2cc(CN3CCOCC3)ccn2)ncn1
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| InChI |
InChI=1S/C28H27ClN8O/c1-19-5-4-6-21(29)27(19)35-28-33-22-7-2-3-8-23(22)37(28)26-16-25(31-18-32-26)34-24-15-20(9-10-30-24)17-36-11-13-38-14-12-36/h2-10,15-16,18H,11-14,17H2,1H3,(H,33,35)(H,30,31,32,34)
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| InChIKey |
KNPRFHFPAKZBIG-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