General Information of the Compound
| Compound ID |
CP0927956
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| Compound Name |
Sodium(5S,7R)-8-{[{(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl}(methyl)amino]carbonyl}-7-(4-fluoro-2-methylphenyl)-1,8-diazaspiro[4.5]decane-3-carboxylate
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| Structure |
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| Formula |
C28H29F7N3NaO3
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| Molecular Weight |
611.534
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| Canonical SMILES |
Cc1cc(F)ccc1[C@H]1C[C@@]2(CCN1C(=O)N(C)[C@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)CC(C(=O)[O-])CN2.[Na+]
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| InChI |
InChI=1S/C28H30F7N3O3.Na/c1-15-8-21(29)4-5-22(15)23-13-26(12-18(14-36-26)24(39)40)6-7-38(23)25(41)37(3)16(2)17-9-19(27(30,31)32)11-20(10-17)28(33,34)35;/h4-5,8-11,16,18,23,36H,6-7,12-14H2,1-3H3,(H,39,40);/q;+1/p-1/t16-,18?,23-,26-;/m1./s1
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| InChIKey |
OOIVQFSPQCKMRS-WYXRGQIUSA-M
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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