General Information of the Compound
| Compound ID |
CP0953756
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| Compound Name |
4-(Benzenesulfonylamino-methyl)-cyclohexanecarboxylic acid (6-methoxy-1-pyridin-3-ylmethyl-1,2,3,4-tetrahydro-naphthalen-2-yl)-amide
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| Formula |
C31H37N3O4S
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| Molecular Weight |
547.721
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| Canonical SMILES |
COc1ccc2c(c1)CCC(NC(=O)[C@H]1CC[C@H](CNS(=O)(=O)c3ccccc3)CC1)C2Cc1cccnc1
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| InChI |
InChI=1S/C31H37N3O4S/c1-38-26-14-15-28-25(19-26)13-16-30(29(28)18-23-6-5-17-32-20-23)34-31(35)24-11-9-22(10-12-24)21-33-39(36,37)27-7-3-2-4-8-27/h2-8,14-15,17,19-20,22,24,29-30,33H,9-13,16,18,21H2,1H3,(H,34,35)/t22-,24-,29?,30?
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| InChIKey |
DTFCPRGYIANTQC-ZVPVNGCFSA-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