General Information of the Compound
| Compound ID |
CP0497133
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| Compound Name |
1,2,3,4-Tetrahydro-naphthalene-2-carboxylic acid {4-[(naphthalene-2-sulfonylamino)-methyl]-cyclohexylmethyl}-amide
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| Formula |
C29H34N2O3S
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| Molecular Weight |
490.669
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| Canonical SMILES |
O=C(NC[C@H]1CC[C@H](CNS(=O)(=O)c2ccc3ccccc3c2)CC1)C1CCc2ccccc2C1
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| InChI |
InChI=1S/C29H34N2O3S/c32-29(27-14-13-23-5-1-3-7-25(23)17-27)30-19-21-9-11-22(12-10-21)20-31-35(33,34)28-16-15-24-6-2-4-8-26(24)18-28/h1-8,15-16,18,21-22,27,31H,9-14,17,19-20H2,(H,30,32)/t21-,22-,27?
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| InChIKey |
AYQQLDSQIWJEDR-INCBEPGWSA-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