General Information of the Compound
| Compound ID |
CP0121931
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| Compound Name |
6-[[(1R,2S)-2-aminocyclohexyl]amino]-2-[3-(triazol-2-yl)anilino]pyridine-3-carboxamide
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| Structure |
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| Formula |
C20H24N8O
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| Molecular Weight |
392.467
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| Canonical SMILES |
N[C@H]1CCCC[C@H]1Nc1ccc(C(N)=O)c(Nc2cccc(c2)-n2nccn2)n1
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| InChI |
InChI=1S/C20H24N8O/c21-16-6-1-2-7-17(16)26-18-9-8-15(19(22)29)20(27-18)25-13-4-3-5-14(12-13)28-23-10-11-24-28/h3-5,8-12,16-17H,1-2,6-7,21H2,(H2,22,29)(H2,25,26,27)/t16-,17+/m0/s1
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| InChIKey |
CAPOVEGNVPHPNW-DLBZAZTESA-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
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2
Protein ID: PT01441, Tyrosine-protein kinase SYK