General Information of the Compound
| Compound ID |
CP0941498
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| Compound Name |
4-[(2-Fluoro-benzenesulfonylamino)-methyl]-cyclohexanecarboxylic acid (6-fluoro-1-pyridin-3-ylmethyl-1,2,3,4-tetrahydro-naphthalen-2-yl)-amide
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| Formula |
C30H33F2N3O3S
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| Molecular Weight |
553.675
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| Canonical SMILES |
O=C(NC1CCc2cc(F)ccc2C1Cc1cccnc1)[C@H]1CC[C@H](CNS(=O)(=O)c2ccccc2F)CC1
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| InChI |
InChI=1S/C30H33F2N3O3S/c31-24-12-13-25-23(17-24)11-14-28(26(25)16-21-4-3-15-33-18-21)35-30(36)22-9-7-20(8-10-22)19-34-39(37,38)29-6-2-1-5-27(29)32/h1-6,12-13,15,17-18,20,22,26,28,34H,7-11,14,16,19H2,(H,35,36)/t20-,22-,26?,28?
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| InChIKey |
YSNXGFNZCPGGMB-KBFVXFJFSA-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