General Information of the Compound
| Compound ID |
CP0109991
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| Compound Name |
N-[(4-fluorophenyl)methyl]-8-[[3-[(4-fluorophenyl)methylcarbamoyl]quinolin-8-yl]disulfanyl]quinoline-3-carboxamide
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| Structure |
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| Formula |
C34H24F2N4O2S2
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| Molecular Weight |
622.722
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| Canonical SMILES |
Fc1ccc(CNC(=O)c2cnc3c(SSc4cccc5cc(cnc45)C(=O)NCc4ccc(F)cc4)cccc3c2)cc1
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| InChI |
InChI=1S/C34H24F2N4O2S2/c35-27-11-7-21(8-12-27)17-39-33(41)25-15-23-3-1-5-29(31(23)37-19-25)43-44-30-6-2-4-24-16-26(20-38-32(24)30)34(42)40-18-22-9-13-28(36)14-10-22/h1-16,19-20H,17-18H2,(H,39,41)(H,40,42)
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| InChIKey |
BDPASXNXAYPLTI-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