General Information of the Compound
| Compound ID |
CP0953828
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| Compound Name |
4-chloro-3-(1-(7-chloro-2-(cyclopropylamino)pyrido[3,4-b]pyrazin-3-yl)piperidine-4-carbonyl)benzonitrile
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| Structure |
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| Formula |
C23H20Cl2N6O
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| Molecular Weight |
467.36
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| Canonical SMILES |
N#Cc1ccc(Cl)c(C(=O)C2CCN(c3nc4cnc(Cl)cc4nc3NC3CC3)CC2)c1
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| InChI |
InChI=1S/C23H20Cl2N6O/c24-17-4-1-13(11-26)9-16(17)21(32)14-5-7-31(8-6-14)23-22(28-15-2-3-15)29-18-10-20(25)27-12-19(18)30-23/h1,4,9-10,12,14-15H,2-3,5-8H2,(H,28,29)
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| InChIKey |
CJZSGQYXEQRDRE-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