General Information of the Compound
| Compound ID |
CP0954242
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| Compound Name |
(5-chlorothiophen-3-yl)(1-(2-(cyclopropylamino)pyrido[3,4-b]pyrazin-3-yl)piperidin-4-yl)methanone hydrogen chloride
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| Structure |
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| Formula |
C20H21Cl2N5OS
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| Molecular Weight |
450.395
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| Canonical SMILES |
Cl.O=C(c1csc(Cl)c1)C1CCN(c2nc3cnccc3nc2NC2CC2)CC1
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| InChI |
InChI=1S/C20H20ClN5OS.ClH/c21-17-9-13(11-28-17)18(27)12-4-7-26(8-5-12)20-19(23-14-1-2-14)24-15-3-6-22-10-16(15)25-20;/h3,6,9-12,14H,1-2,4-5,7-8H2,(H,23,24);1H
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| InChIKey |
URURYEYYKYKSHH-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