General Information of the Compound
| Compound ID |
CP0404918
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| Compound Name |
N-[(1S)-1-cyclohexylethyl]-6-phenyl-3-pyridin-2-yl-1,2,4-triazin-5-amine
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| Structure |
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| Formula |
C22H25N5
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| Molecular Weight |
359.477
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| Canonical SMILES |
C[C@H](Nc1nc(nnc1-c1ccccc1)-c1ccccn1)C1CCCCC1
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| InChI |
InChI=1S/C22H25N5/c1-16(17-10-4-2-5-11-17)24-22-20(18-12-6-3-7-13-18)26-27-21(25-22)19-14-8-9-15-23-19/h3,6-9,12-17H,2,4-5,10-11H2,1H3,(H,24,25,27)/t16-/m0/s1
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| InChIKey |
SWSOEWNFYYVHKJ-INIZCTEOSA-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