General Information of the Compound
| Compound ID |
CP0524096
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| Compound Name |
3-amino-6-chloro-5-[(3S)-3-ethyl-4-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]piperazin-1-yl]pyrazine-2-carboxamide
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| Structure |
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| Formula |
C24H31ClF3N7O2
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| Molecular Weight |
542.006
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| Canonical SMILES |
CC[C@H]1CN(CCN1C1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1)c1nc(N)c(nc1Cl)C(N)=O
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| InChI |
InChI=1S/C24H31ClF3N7O2/c1-2-16-14-34(23-20(25)31-19(22(30)36)21(29)32-23)11-12-35(16)17-7-9-33(10-8-17)13-15-3-5-18(6-4-15)37-24(26,27)28/h3-6,16-17H,2,7-14H2,1H3,(H2,29,32)(H2,30,36)/t16-/m0/s1
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| InChIKey |
FSQRZWCNEBMUAW-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