General Information of the Compound
| Compound ID |
CP0865027
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| Compound Name |
3-(4-(4-chlorobenzoyl)piperazin-1-yl)-2-((2-fluoroethyl)amino)quinoxaline-6-carbonitrile 2,2,2-trifluoroacetic acid
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| Structure |
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| Formula |
C24H21ClF4N6O3
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| Molecular Weight |
552.916
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| Canonical SMILES |
N#Cc1ccc2nc(NCCF)c(N3CCN(C(=O)c4ccc(Cl)cc4)CC3)nc2c1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C22H20ClFN6O.C2HF3O2/c23-17-4-2-16(3-5-17)22(31)30-11-9-29(10-12-30)21-20(26-8-7-24)27-18-6-1-15(14-25)13-19(18)28-21;3-2(4,5)1(6)7/h1-6,13H,7-12H2,(H,26,27);(H,6,7)
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| InChIKey |
IYSXQBMXUNWEOZ-UHFFFAOYSA-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