General Information of the Compound
| Compound ID |
CP0580166
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| Compound Name |
N-[3-[3-(2-aminopyrimidin-4-yl)benzimidazol-5-yl]propyl]acetamide
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| Structure |
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| Formula |
C16H18N6O
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| Molecular Weight |
310.361
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| Canonical SMILES |
CC(=O)NCCCc1ccc2ncn(-c3ccnc(N)n3)c2c1
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| InChI |
InChI=1S/C16H18N6O/c1-11(23)18-7-2-3-12-4-5-13-14(9-12)22(10-20-13)15-6-8-19-16(17)21-15/h4-6,8-10H,2-3,7H2,1H3,(H,18,23)(H2,17,19,21)
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| InChIKey |
NKRWOBSVOLZANB-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