General Information of the Compound
| Compound ID |
CP0499370
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| Compound Name |
N-[(3R)-3-[4-[4-(2-amino-2-oxoethoxy)-N-[(4-methylpyridin-3-yl)methyl]anilino]piperidin-1-yl]butyl]-6-cyano-2,4-dimethylpyridine-3-carboxamide
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| Structure |
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| Formula |
C33H41N7O3
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| Molecular Weight |
583.737
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| Canonical SMILES |
C[C@H](CCNC(=O)c1c(C)cc(nc1C)C#N)N1CCC(CC1)N(Cc1cnccc1C)c1ccc(OCC(N)=O)cc1
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| InChI |
InChI=1S/C33H41N7O3/c1-22-9-13-36-19-26(22)20-40(28-5-7-30(8-6-28)43-21-31(35)41)29-11-15-39(16-12-29)24(3)10-14-37-33(42)32-23(2)17-27(18-34)38-25(32)4/h5-9,13,17,19,24,29H,10-12,14-16,20-21H2,1-4H3,(H2,35,41)(H,37,42)/t24-/m1/s1
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| InChIKey |
QAPQEEFWZKTNFJ-XMMPIXPASA-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