General Information of the Compound
| Compound ID |
CP0867674
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| Compound Name |
2-(cyclopropylamino)-3-(4-(2-fluoro-4-methoxyphenoxy)piperidin-1-yl)-N,N-dimethylpyrido[3,4-b]pyrazine-5-carboxamide
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| Structure |
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| Formula |
C25H29FN6O3
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| Molecular Weight |
480.544
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| Canonical SMILES |
COc1ccc(OC2CCN(c3nc4c(C(=O)N(C)C)nccc4nc3NC3CC3)CC2)c(F)c1
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| InChI |
InChI=1S/C25H29FN6O3/c1-31(2)25(33)22-21-19(8-11-27-22)29-23(28-15-4-5-15)24(30-21)32-12-9-16(10-13-32)35-20-7-6-17(34-3)14-18(20)26/h6-8,11,14-16H,4-5,9-10,12-13H2,1-3H3,(H,28,29)
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| InChIKey |
ISUROAUUIOKRNW-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