General Information of the Compound
| Compound ID |
CP0563557
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| Compound Name |
N-[(5-chloro-1-methylimidazol-2-yl)methyl]-1-methylbenzotriazol-5-amine
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| Formula |
C12H13ClN6
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| Molecular Weight |
276.731
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| Canonical SMILES |
Cn1c(Cl)cnc1CNc1ccc2n(C)nnc2c1
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| InChI |
InChI=1S/C12H13ClN6/c1-18-11(13)6-15-12(18)7-14-8-3-4-10-9(5-8)16-17-19(10)2/h3-6,14H,7H2,1-2H3
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| InChIKey |
JUKLLOBHHPJWFZ-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