General Information of the Compound
| Compound ID |
CP0577903
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| Compound Name |
1-(2-(4-(5-chloro-2-fluorobenzoyl)piperidin-1-yl)-3-(isopropylamino)-7,8-dihydropyrido[3,4-b]pyrazin-6(5H)-yl)ethanone
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| Structure |
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| Formula |
C23H29ClFN5O2
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| Molecular Weight |
461.969
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| Canonical SMILES |
CC(C)Nc1nc2CN(CCc2nc1N1CCC(CC1)Oc1cc(Cl)ccc1F)C(C)=O
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| InChI |
InChI=1S/C23H29ClFN5O2/c1-14(2)26-22-23(28-19-8-11-30(15(3)31)13-20(19)27-22)29-9-6-17(7-10-29)32-21-12-16(24)4-5-18(21)25/h4-5,12,14,17H,6-11,13H2,1-3H3,(H,26,27)
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| InChIKey |
BXCHXINRXDZGFI-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