General Information of the Compound
| Compound ID |
CP0506445
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| Compound Name |
N-(2H-benzotriazol-5-yl)-6-[cyclohexyl(methyl)amino]pyrimidine-4-carboxamide
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| Structure |
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| Formula |
C18H21N7O
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| Molecular Weight |
351.414
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| Canonical SMILES |
CN(C1CCCCC1)c1cc(ncn1)C(=O)Nc1ccc2nn[nH]c2c1
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| InChI |
InChI=1S/C18H21N7O/c1-25(13-5-3-2-4-6-13)17-10-16(19-11-20-17)18(26)21-12-7-8-14-15(9-12)23-24-22-14/h7-11,13H,2-6H2,1H3,(H,21,26)(H,22,23,24)
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| InChIKey |
MRASVPNQLWOOMB-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