General Information of the Compound
| Compound ID |
CP0946861
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| Compound Name |
(2-chloro-3-fluorophenyl)(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 |
C22H22Cl2FN5O
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| Molecular Weight |
462.356
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| Canonical SMILES |
Cl.O=C(c1cccc(F)c1Cl)C1CCN(c2nc3cnccc3nc2NC2CC2)CC1
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| InChI |
InChI=1S/C22H21ClFN5O.ClH/c23-19-15(2-1-3-16(19)24)20(30)13-7-10-29(11-8-13)22-21(26-14-4-5-14)27-17-6-9-25-12-18(17)28-22;/h1-3,6,9,12-14H,4-5,7-8,10-11H2,(H,26,27);1H
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| InChIKey |
NGNYQCSZIHZMRE-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