General Information of the Compound
| Compound ID |
CP0533855
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| Compound Name |
N-[(3R,3aS,9bS)-9b-(4-fluorophenyl)sulfonyl-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-1,2,3,3a,4,5-hexahydrocyclopenta[a]naphthalen-3-yl]-1,1-dioxothian-4-amine
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| Formula |
C27H27F8NO4S2
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| Molecular Weight |
645.634
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| Canonical SMILES |
Fc1ccc(cc1)S(=O)(=O)[C@@]12CC[C@@H](NC3CCS(=O)(=O)CC3)[C@@H]1CCc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C27H27F8NO4S2/c28-18-3-5-20(6-4-18)42(39,40)24-12-9-23(36-19-10-13-41(37,38)14-11-19)22(24)7-1-16-15-17(2-8-21(16)24)25(29,26(30,31)32)27(33,34)35/h2-6,8,15,19,22-23,36H,1,7,9-14H2/t22-,23+,24+/m0/s1
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| InChIKey |
XEVGQAWENLOSKD-RBZQAINGSA-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