General Information of the Compound
| Compound ID |
CP0157175
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| Compound Name |
N-[5-[6-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]-3-piperidin-1-ylpyridin-2-yl]oxy-2-methylphenyl]prop-2-enamide
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| Structure |
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| Formula |
C32H40N6O3
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| Molecular Weight |
556.711
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| Canonical SMILES |
COc1cc(ccc1Nc1ccc(N2CCCCC2)c(Oc2ccc(C)c(NC(=O)C=C)c2)n1)N1CCN(C)CC1
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| InChI |
InChI=1S/C32H40N6O3/c1-5-31(39)34-27-22-25(11-9-23(27)2)41-32-28(38-15-7-6-8-16-38)13-14-30(35-32)33-26-12-10-24(21-29(26)40-4)37-19-17-36(3)18-20-37/h5,9-14,21-22H,1,6-8,15-20H2,2-4H3,(H,33,35)(H,34,39)
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| InChIKey |
ZFRMQNBHXVYHCH-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
Protein ID: PT00974, Cathepsin B
Protein ID: PT01006, Cathepsin S
Protein ID: PT02790, Dipeptidyl peptidase 1