General Information of the Compound
| Compound ID |
CP0575802
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| Compound Name |
4-[6-[2-(4-methylpyrimidin-2-yl)ethynyl]benzimidazol-1-yl]pyrimidin-2-amine
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| Structure |
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| Formula |
C18H13N7
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| Molecular Weight |
327.351
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| Canonical SMILES |
Cc1ccnc(n1)C#Cc1ccc2ncn(-c3ccnc(N)n3)c2c1
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| InChI |
InChI=1S/C18H13N7/c1-12-6-8-20-16(23-12)5-3-13-2-4-14-15(10-13)25(11-22-14)17-7-9-21-18(19)24-17/h2,4,6-11H,1H3,(H2,19,21,24)
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| InChIKey |
CNXNUEWCCVCNSH-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