General Information of the Compound
| Compound ID |
CP0437936
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| Compound Name |
4-amino-3-methyl-N-[1-[2-(trifluoromethyl)pyridin-4-yl]azetidin-3-yl]benzotriazole-5-carboxamide
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| Structure |
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| Formula |
C17H16F3N7O
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| Molecular Weight |
391.357
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| Canonical SMILES |
Cn1nnc2ccc(C(=O)NC3CN(C3)c3ccnc(c3)C(F)(F)F)c(N)c12
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| InChI |
InChI=1S/C17H16F3N7O/c1-26-15-12(24-25-26)3-2-11(14(15)21)16(28)23-9-7-27(8-9)10-4-5-22-13(6-10)17(18,19)20/h2-6,9H,7-8,21H2,1H3,(H,23,28)
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| InChIKey |
LFAXDRJGHOEBPM-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