General Information of the Compound
| Compound ID |
CP0867799
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| Compound Name |
5-(4-(5-chloro-2-fluorobenzoyl)piperidin-1-yl)-3-cyano-6-(isopropylamino)-N,N-dimethylpyrazine-2-carboxamide
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| Structure |
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| Formula |
C22H26ClFN6O2
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| Molecular Weight |
460.941
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| Canonical SMILES |
CC(C)Nc1nc(C(=O)N(C)C)c(C#N)nc1N1CCC(Oc2cc(Cl)ccc2F)CC1
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| InChI |
InChI=1S/C22H26ClFN6O2/c1-13(2)26-20-21(27-17(12-25)19(28-20)22(31)29(3)4)30-9-7-15(8-10-30)32-18-11-14(23)5-6-16(18)24/h5-6,11,13,15H,7-10H2,1-4H3,(H,26,28)
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| InChIKey |
OZXRXLQXNVOSOA-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