General Information of the Compound
| Compound ID |
CP0493101
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| Compound Name |
(S)-4-(2-(7-(quinolin-2-ylmethoxy)naphthalene-2-sulfonamido)propyl)benzoic acid
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| Structure |
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| Formula |
C30H26N2O5S
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| Molecular Weight |
526.614
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| Canonical SMILES |
C[C@@H](Cc1ccc(cc1)C(O)=O)NS(=O)(=O)c1ccc2ccc(OCc3ccc4ccccc4n3)cc2c1
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| InChI |
InChI=1S/C30H26N2O5S/c1-20(16-21-6-8-24(9-7-21)30(33)34)32-38(35,36)28-15-12-22-11-14-27(17-25(22)18-28)37-19-26-13-10-23-4-2-3-5-29(23)31-26/h2-15,17-18,20,32H,16,19H2,1H3,(H,33,34)/t20-/m0/s1
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| InChIKey |
ARZCDLUKHHSKGP-FQEVSTJZSA-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