General Information of the Compound
| Compound ID |
CP0904128
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| Compound Name |
3-(4-(5-chloro-2-fluorobenzoyl)piperidin-1-yl)-2-(isopropylamino)-N,N-dimethyl-7,8-dihydropyrido[3,4-b]pyrazine-6(5H)-carboxamide trifluoroacetic acid
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| Structure |
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| Formula |
C27H33ClF4N6O4
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| Molecular Weight |
617.044
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| Canonical SMILES |
CC(C)Nc1nc2c(nc1N1CCC(C(=O)c3cc(Cl)ccc3F)CC1)CN(C(=O)N(C)C)CC2.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C25H32ClFN6O2.C2HF3O2/c1-15(2)28-23-24(30-21-14-33(25(35)31(3)4)12-9-20(21)29-23)32-10-7-16(8-11-32)22(34)18-13-17(26)5-6-19(18)27;3-2(4,5)1(6)7/h5-6,13,15-16H,7-12,14H2,1-4H3,(H,28,29);(H,6,7)
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| InChIKey |
BODRTUBSBNJGKY-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