General Information of the Compound
| Compound ID |
CP0248601
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| Compound Name |
5-[(3S)-4-[1-(2-amino-6-chloropyridine-3-carbonyl)piperidin-4-yl]-3-ethylpiperazin-1-yl]-N-methyl-6-(trifluoromethyl)pyrazine-2-carboxamide
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| Structure |
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| Formula |
C24H30ClF3N8O2
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| Molecular Weight |
555.005
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| Canonical SMILES |
CC[C@H]1CN(CCN1C1CCN(CC1)C(=O)c1ccc(Cl)nc1N)c1ncc(nc1C(F)(F)F)C(=O)NC
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| InChI |
InChI=1S/C24H30ClF3N8O2/c1-3-14-13-35(21-19(24(26,27)28)32-17(12-31-21)22(37)30-2)10-11-36(14)15-6-8-34(9-7-15)23(38)16-4-5-18(25)33-20(16)29/h4-5,12,14-15H,3,6-11,13H2,1-2H3,(H2,29,33)(H,30,37)/t14-/m0/s1
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| InChIKey |
VMEJSBYATPPBRJ-AWEZNQCLSA-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