General Information of the Compound
| Compound ID |
CP0039200
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| Compound Name |
1-[4-(4-{1-[5-Chloro-2-(trifluoromethyl)benzyl]-1,2,3,4-tetrahydro-pyrido[2,3-b]pyrazin-7-yl}pyridin-2-yl)piperazin-1-yl]ethanone
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| Structure |
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| Formula |
C26H26ClF3N6O
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| Molecular Weight |
530.982
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| Canonical SMILES |
CC(=O)N1CCN(CC1)c1cc(ccn1)-c1cnc2NCCN(Cc3cc(Cl)ccc3C(F)(F)F)c2c1
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| InChI |
InChI=1S/C26H26ClF3N6O/c1-17(37)34-8-10-35(11-9-34)24-14-18(4-5-31-24)19-13-23-25(33-15-19)32-6-7-36(23)16-20-12-21(27)2-3-22(20)26(28,29)30/h2-5,12-15H,6-11,16H2,1H3,(H,32,33)
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| InChIKey |
KPWGSBOUOGDCIQ-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