General Information of the Compound
| Compound ID |
CP0498066
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| Compound Name |
4-(Benzenesulfonylamino-methyl)-cyclohexanecarboxylic acid (3a,4,5,9b-tetrahydro-1H-benzo[e]indol-2-yl)-amide
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| Formula |
C26H31N3O3S
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| Molecular Weight |
465.619
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| Canonical SMILES |
O=C(NC1=NC2CCc3ccccc3C2C1)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2)CC1
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| InChI |
InChI=1S/C26H31N3O3S/c30-26(29-25-16-23-22-9-5-4-6-19(22)14-15-24(23)28-25)20-12-10-18(11-13-20)17-27-33(31,32)21-7-2-1-3-8-21/h1-9,18,20,23-24,27H,10-17H2,(H,28,29,30)/t18-,20-,23?,24?
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| InChIKey |
KPPSJOLXKHWRNG-PTYFPWMOSA-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