General Information of the Compound
| Compound ID |
CP0459641
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| Compound Name |
3-[(4-methoxyphenyl)methylsulfanyl]-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide
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| Structure |
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| Formula |
C33H30N2O2S
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| Molecular Weight |
518.682
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| Canonical SMILES |
CC[C@H](NC(=O)c1c(SCc2ccc(OC)cc2)c(nc2ccccc12)-c1ccccc1)c1ccccc1
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| InChI |
InChI=1S/C33H30N2O2S/c1-3-28(24-12-6-4-7-13-24)35-33(36)30-27-16-10-11-17-29(27)34-31(25-14-8-5-9-15-25)32(30)38-22-23-18-20-26(37-2)21-19-23/h4-21,28H,3,22H2,1-2H3,(H,35,36)/t28-/m0/s1
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| InChIKey |
KRHSSMDNKKQZDE-NDEPHWFRSA-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