General Information of the Compound
| Compound ID |
CP0401929
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| Compound Name |
N-[2-[4-[(2-methoxyphenyl)sulfonylcarbamoyl]phenyl]ethyl]-7-(quinolin-2-ylmethoxy)naphthalene-2-carboxamide
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| Structure |
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| Formula |
C37H31N3O6S
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| Molecular Weight |
645.737
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| Canonical SMILES |
COc1ccccc1S(=O)(=O)NC(=O)c1ccc(CCNC(=O)c2ccc3ccc(OCc4ccc5ccccc5n4)cc3c2)cc1
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| InChI |
InChI=1S/C37H31N3O6S/c1-45-34-8-4-5-9-35(34)47(43,44)40-37(42)28-12-10-25(11-13-28)20-21-38-36(41)29-15-14-26-17-19-32(23-30(26)22-29)46-24-31-18-16-27-6-2-3-7-33(27)39-31/h2-19,22-23H,20-21,24H2,1H3,(H,38,41)(H,40,42)
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| InChIKey |
LIQSGBTYYWHDRL-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