General Information of the Compound
| Compound ID |
CP0577989
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| Compound Name |
1-[2-[4-[(2,4-difluorophenyl)methyl]piperazin-1-yl]-3-(propan-2-ylamino)-5H-pyrido[3,4-b]pyrazin-6-yl]propan-1-one
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| Structure |
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| Formula |
C24H30F2N6O
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| Molecular Weight |
456.541
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| Canonical SMILES |
CCC(=O)N1Cc2nc(NC(C)C)c(nc2C=C1)N1CCN(Cc2ccc(F)cc2F)CC1
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| InChI |
InChI=1S/C24H30F2N6O/c1-4-22(33)32-8-7-20-21(15-32)28-23(27-16(2)3)24(29-20)31-11-9-30(10-12-31)14-17-5-6-18(25)13-19(17)26/h5-8,13,16H,4,9-12,14-15H2,1-3H3,(H,27,28)
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| InChIKey |
PMUGVOLVSOZKDQ-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