General Information of the Compound
| Compound ID |
CP0272581
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| Compound Name |
5-[(3S)-4-[1-(2-amino-6-chloropyridine-3-carbonyl)piperidin-4-yl]-3-ethylpiperazin-1-yl]-6-(trifluoromethyl)pyrazine-2-carboxamide
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| Structure |
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| Formula |
C23H28ClF3N8O2
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| Molecular Weight |
540.978
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| Canonical SMILES |
CC[C@H]1CN(CCN1C1CCN(CC1)C(=O)c1ccc(Cl)nc1N)c1ncc(nc1C(F)(F)F)C(N)=O
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| InChI |
InChI=1S/C23H28ClF3N8O2/c1-2-13-12-34(21-18(23(25,26)27)31-16(11-30-21)20(29)36)9-10-35(13)14-5-7-33(8-6-14)22(37)15-3-4-17(24)32-19(15)28/h3-4,11,13-14H,2,5-10,12H2,1H3,(H2,28,32)(H2,29,36)/t13-/m0/s1
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| InChIKey |
KGJPFBXODXYPGM-ZDUSSCGKSA-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