General Information of the Compound
| Compound ID |
CP0871646
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| Compound Name |
2-(1'-acryloyl-1',2',3',6'-tetrahydro-[2,4'-bipyridin]-5-yl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-methylbutanamide
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| Structure |
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| Formula |
C24H29N5O2
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| Molecular Weight |
419.529
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| Canonical SMILES |
C=CC(=O)N1CC=C(c2ccc(C(C(=O)Nc3cc(C4CC4)[nH]n3)C(C)C)cn2)CC1
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| InChI |
InChI=1S/C24H29N5O2/c1-4-22(30)29-11-9-17(10-12-29)19-8-7-18(14-25-19)23(15(2)3)24(31)26-21-13-20(27-28-21)16-5-6-16/h4,7-9,13-16,23H,1,5-6,10-12H2,2-3H3,(H2,26,27,28,31)
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| InChIKey |
FZZUUJUCXYDSIW-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