General Information of the Compound
| Compound ID |
CP0931306
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| Compound Name |
2-(4-(3-chlorobenzyl)piperazin-1-yl)-N-phenylpyrido[2,3-b]pyrazin-3-amine 2,2,2-trifluoroacetic acid
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| Structure |
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| Formula |
C26H24ClF3N6O2
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| Molecular Weight |
544.965
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| Canonical SMILES |
Clc1cccc(CN2CCN(c3nc4cccnc4nc3Nc3ccccc3)CC2)c1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C24H23ClN6.C2HF3O2/c25-19-7-4-6-18(16-19)17-30-12-14-31(15-13-30)24-23(27-20-8-2-1-3-9-20)29-22-21(28-24)10-5-11-26-22;3-2(4,5)1(6)7/h1-11,16H,12-15,17H2,(H,26,27,29);(H,6,7)
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| InChIKey |
AWAUBBIHOYYBAP-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