General Information of the Compound
| Compound ID |
CP0213341
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| Compound Name |
8-[[3-[(4-morpholin-4-ylphenyl)methylcarbamoyl]quinolin-8-yl]disulfanyl]-N-[(4-piperidin-1-ylphenyl)methyl]quinoline-3-carboxamide
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| Structure |
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| Formula |
C43H42N6O3S2
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| Molecular Weight |
754.982
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| Canonical SMILES |
O=C(NCc1ccc(cc1)N1CCCCC1)c1cnc2c(SSc3cccc4cc(cnc34)C(=O)NCc3ccc(cc3)N3CCOCC3)cccc2c1
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| InChI |
InChI=1S/C43H42N6O3S2/c50-42(46-26-30-10-14-36(15-11-30)48-18-2-1-3-19-48)34-24-32-6-4-8-38(40(32)44-28-34)53-54-39-9-5-7-33-25-35(29-45-41(33)39)43(51)47-27-31-12-16-37(17-13-31)49-20-22-52-23-21-49/h4-17,24-25,28-29H,1-3,18-23,26-27H2,(H,46,50)(H,47,51)
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| InChIKey |
LVFIFRMFZBIODZ-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