General Information of the Compound
| Compound ID |
CP0573090
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| Compound Name |
4-(Benzenesulfonylamino-methyl)-cyclohexanecarboxylic acid (7-methoxy-3a,4,5,9b-tetrahydro-1H-benzo[e]indol-2-yl)-amide
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| Formula |
C27H33N3O4S
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| Molecular Weight |
495.645
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| Canonical SMILES |
COc1ccc2C3CC(NC(=O)[C@H]4CC[C@H](CNS(=O)(=O)c5ccccc5)CC4)=NC3CCc2c1
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| InChI |
InChI=1S/C27H33N3O4S/c1-34-21-12-13-23-20(15-21)11-14-25-24(23)16-26(29-25)30-27(31)19-9-7-18(8-10-19)17-28-35(32,33)22-5-3-2-4-6-22/h2-6,12-13,15,18-19,24-25,28H,7-11,14,16-17H2,1H3,(H,29,30,31)/t18-,19-,24?,25?
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| InChIKey |
JITQXERYAISVPC-YPBCEPMSSA-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