General Information of the Compound
| Compound ID |
CP0540056
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| Compound Name |
5-(4-butanoyl-5-methylpyrazol-1-yl)-2-[[5-chloro-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]indole-3-carbonyl]amino]benzoic acid
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| Structure |
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| Formula |
C31H33ClN6O5
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| Molecular Weight |
605.095
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| Canonical SMILES |
CCCC(=O)c1cnn(c1C)-c1ccc(NC(=O)c2cn(CC(=O)N3CCN(C)CC3)c3ccc(Cl)cc23)c(c1)C(O)=O
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| InChI |
InChI=1S/C31H33ClN6O5/c1-4-5-28(39)24-16-33-38(19(24)2)21-7-8-26(23(15-21)31(42)43)34-30(41)25-17-37(27-9-6-20(32)14-22(25)27)18-29(40)36-12-10-35(3)11-13-36/h6-9,14-17H,4-5,10-13,18H2,1-3H3,(H,34,41)(H,42,43)
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| InChIKey |
WGJANBNZZCUOCW-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