General Information of the Compound
| Compound ID |
CP0515924
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| Compound Name |
2-Thiophen-2-yl-quinoline-4-carboxylic acid [2-(4-ethyl-piperazin-1-yl)-4-methyl-quinolin-6-yl]-amide
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| Structure |
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| Formula |
C30H29N5OS
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| Molecular Weight |
507.663
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| Canonical SMILES |
CCN1CCN(CC1)c1cc(C)c2cc(NC(=O)c3cc(nc4ccccc34)-c3cccs3)ccc2n1
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| InChI |
InChI=1S/C30H29N5OS/c1-3-34-12-14-35(15-13-34)29-17-20(2)23-18-21(10-11-26(23)33-29)31-30(36)24-19-27(28-9-6-16-37-28)32-25-8-5-4-7-22(24)25/h4-11,16-19H,3,12-15H2,1-2H3,(H,31,36)
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| InChIKey |
MPLFGSSKQRHUCS-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