General Information of the Compound
| Compound ID |
CP0534584
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| Compound Name |
(perfluoropropan-2-yl)-2,3,3a,5,9b-hexahydro-1H-cyclopenta[a]naphthalene-3-carboxamide hydrochloride
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| Formula |
C27H26F8N2O3S
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| Molecular Weight |
610.567
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| Canonical SMILES |
N[C@H]1C[C@H](C1)NC(=O)[C@@H]1CC[C@@]2([C@H]1CCc1cc(ccc21)C(F)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1
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| InChI |
InChI=1S/C27H26F8N2O3S/c28-16-3-5-19(6-4-16)41(39,40)24-10-9-20(23(38)37-18-12-17(36)13-18)22(24)7-1-14-11-15(2-8-21(14)24)25(29,26(30,31)32)27(33,34)35/h2-6,8,11,17-18,20,22H,1,7,9-10,12-13,36H2,(H,37,38)/t17-,18+,20-,22+,24-/m1/s1
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| InChIKey |
PCOXMPLAUHJMOF-QEYZDPKDSA-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