General Information of the Compound
| Compound ID |
CP0403118
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| Compound Name |
N-[5-[4-[(5-ethyl-1,2-oxazol-3-yl)carbamoylamino]-3-methylphenyl]-1H-pyrazol-3-yl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide
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| Structure |
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| Formula |
C29H34N8O3
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| Molecular Weight |
542.644
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| Canonical SMILES |
CCc1cc(NC(=O)Nc2ccc(cc2C)-c2cc(NC(=O)c3ccc(CN4CCN(C)CC4)cc3)[nH]n2)no1
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| InChI |
InChI=1S/C29H34N8O3/c1-4-23-16-27(35-40-23)32-29(39)30-24-10-9-22(15-19(24)2)25-17-26(34-33-25)31-28(38)21-7-5-20(6-8-21)18-37-13-11-36(3)12-14-37/h5-10,15-17H,4,11-14,18H2,1-3H3,(H2,30,32,35,39)(H2,31,33,34,38)
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| InChIKey |
CJFGEFVVORFDMA-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