General Information of the Compound
| Compound ID |
CP0423738
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| Compound Name |
[4-(3-chlorophenyl)piperazin-1-yl]-(2-phenyl-8-thiophen-2-ylquinolin-4-yl)methanone
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| Formula |
C30H24ClN3OS
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| Molecular Weight |
510.062
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| Canonical SMILES |
Clc1cccc(c1)N1CCN(CC1)C(=O)c1cc(nc2c(cccc12)-c1cccs1)-c1ccccc1
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| InChI |
InChI=1S/C30H24ClN3OS/c31-22-9-4-10-23(19-22)33-14-16-34(17-15-33)30(35)26-20-27(21-7-2-1-3-8-21)32-29-24(26)11-5-12-25(29)28-13-6-18-36-28/h1-13,18-20H,14-17H2
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| InChIKey |
ZPLSVZYVWADIRE-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