General Information of the Compound
| Compound ID |
CP0577106
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| Compound Name |
3-amino-6-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]-N-[(2R)-3,3,3-trifluoro-2-hydroxy-2-methylpropyl]pyrazine-2-carboxamide
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| Structure |
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| Formula |
C23H31F3N6O2
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| Molecular Weight |
480.535
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| Canonical SMILES |
CC(C)N1CCN(Cc2ccc(cc2)-c2cnc(N)c(n2)C(=O)NC[C@@](C)(O)C(F)(F)F)CC1
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| InChI |
InChI=1S/C23H31F3N6O2/c1-15(2)32-10-8-31(9-11-32)13-16-4-6-17(7-5-16)18-12-28-20(27)19(30-18)21(33)29-14-22(3,34)23(24,25)26/h4-7,12,15,34H,8-11,13-14H2,1-3H3,(H2,27,28)(H,29,33)/t22-/m1/s1
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| InChIKey |
YGTDTVKAZAIEIJ-JOCHJYFZSA-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