General Information of the Compound
| Compound ID |
CP0580186
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| Compound Name |
N-[3-[3-(2-aminopyrimidin-4-yl)benzimidazol-5-yl]prop-2-ynyl]prop-2-enamide
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| Structure |
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| Formula |
C17H14N6O
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| Molecular Weight |
318.34
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| Canonical SMILES |
Nc1nccc(n1)-n1cnc2ccc(cc12)C#CCNC(=O)C=C
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| InChI |
InChI=1S/C17H14N6O/c1-2-16(24)19-8-3-4-12-5-6-13-14(10-12)23(11-21-13)15-7-9-20-17(18)22-15/h2,5-7,9-11H,1,8H2,(H,19,24)(H2,18,20,22)
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| InChIKey |
JIISCIKLQPAHCU-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