General Information of the Compound
| Compound ID |
CP0945392
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| Compound Name |
(2S,5S,7R)-N-{(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl}-7-(4-fluoro-2-methylphenyl)-2-(hydroxymethyl)-N-methyl-1,8-diazaspiro[4.5]decane-8-carboxamide hydrochloride
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| Structure |
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| Formula |
C28H33ClF7N3O2
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| Molecular Weight |
612.03
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| Canonical SMILES |
Cc1cc(F)ccc1[C@H]1C[C@]2(CC[C@@H](CO)N2)CCN1C(=O)N(C)[C@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.Cl
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| InChI |
InChI=1S/C28H32F7N3O2.ClH/c1-16-10-21(29)4-5-23(16)24-14-26(7-6-22(15-39)36-26)8-9-38(24)25(40)37(3)17(2)18-11-19(27(30,31)32)13-20(12-18)28(33,34)35;/h4-5,10-13,17,22,24,36,39H,6-9,14-15H2,1-3H3;1H/t17-,22+,24-,26+;/m1./s1
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| InChIKey |
JQWHTBBIOLLIQB-QGDKJWMRSA-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