General Information of the Compound
| Compound ID |
CP0848978
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| Compound Name |
N-cyclopropyl-3-(4-(4-(methylthio)phenoxy)piperidin-1-yl)pyrido[3,4-b]pyrazin-2-amine 2,2,2-trifluoroacetic acid
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| Structure |
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| Formula |
C24H26F3N5O3S
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| Molecular Weight |
521.565
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| Canonical SMILES |
CSc1ccc(OC2CCN(c3nc4cnccc4nc3NC3CC3)CC2)cc1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C22H25N5OS.C2HF3O2/c1-29-18-6-4-16(5-7-18)28-17-9-12-27(13-10-17)22-21(24-15-2-3-15)25-19-8-11-23-14-20(19)26-22;3-2(4,5)1(6)7/h4-8,11,14-15,17H,2-3,9-10,12-13H2,1H3,(H,24,25);(H,6,7)
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| InChIKey |
XIZIYZRWDWERFD-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