General Information of the Compound
| Compound ID |
CP0883066
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| Compound Name |
(2R,5S,7R)-N8-{(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl}-7-(4-fluoro-2-methylphenyl)-N8,2-dimethyl-1,8-diazaspiro[4.5]decane-2,8-dicarboxamide hydrochloride
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| Structure |
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| Formula |
C29H34ClF7N4O2
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| Molecular Weight |
639.056
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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@](C)(C(N)=O)N2.Cl
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| InChI |
InChI=1S/C29H33F7N4O2.ClH/c1-16-11-21(30)5-6-22(16)23-15-27(8-7-26(3,38-27)24(37)41)9-10-40(23)25(42)39(4)17(2)18-12-19(28(31,32)33)14-20(13-18)29(34,35)36;/h5-6,11-14,17,23,38H,7-10,15H2,1-4H3,(H2,37,41);1H/t17-,23-,26-,27+;/m1./s1
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| InChIKey |
XFJINNJFWRJLNL-BHXWVRDKSA-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