General Information of the Compound
| Compound ID |
CP0902924
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| Compound Name |
N-(5-cyano-2-(4-(2,4-difluorophenoxy)piperidin-1-yl)phenyl)-6-methylpyrazine-2-carboxamide
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| Structure |
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| Formula |
C24H21F2N5O2
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| Molecular Weight |
449.461
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| Canonical SMILES |
Cc1cncc(C(=O)Nc2cc(C#N)ccc2N2CCC(Oc3ccc(F)cc3F)CC2)n1
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| InChI |
InChI=1S/C24H21F2N5O2/c1-15-13-28-14-21(29-15)24(32)30-20-10-16(12-27)2-4-22(20)31-8-6-18(7-9-31)33-23-5-3-17(25)11-19(23)26/h2-5,10-11,13-14,18H,6-9H2,1H3,(H,30,32)
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| InChIKey |
SMHHZIVODDCFSW-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