General Information of the Compound
| Compound ID |
CP0037704
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| Compound Name |
[4-[1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-2H-pyrido[2,3-b]pyrazin-7-yl]phenyl]-(4-methoxypiperidin-1-yl)methanone
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| Structure |
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| Formula |
C28H28ClF3N4O2
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| Molecular Weight |
545.005
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| Canonical SMILES |
COC1CCN(CC1)C(=O)c1ccc(cc1)-c1cnc2NCCN(Cc3cc(Cl)ccc3C(F)(F)F)c2c1
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| InChI |
InChI=1S/C28H28ClF3N4O2/c1-38-23-8-11-35(12-9-23)27(37)19-4-2-18(3-5-19)20-15-25-26(34-16-20)33-10-13-36(25)17-21-14-22(29)6-7-24(21)28(30,31)32/h2-7,14-16,23H,8-13,17H2,1H3,(H,33,34)
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| InChIKey |
VMVVOKCTJMCBIB-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