General Information of the Compound
| Compound ID |
CP0883067
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| Compound Name |
(2R,5S,7R)-N-{(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl}-7-(4-fluoro-2-methylphenyl)-2-(hydroxymethyl)-N,2-dimethyl-1,8-diazaspiro[4.5]decane-8-carboxamide hydrochloride
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| Structure |
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| Formula |
C29H35ClF7N3O2
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| Molecular Weight |
626.057
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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)(CO)N2.Cl
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| InChI |
InChI=1S/C29H34F7N3O2.ClH/c1-17-11-22(30)5-6-23(17)24-15-27(8-7-26(3,16-40)37-27)9-10-39(24)25(41)38(4)18(2)19-12-20(28(31,32)33)14-21(13-19)29(34,35)36;/h5-6,11-14,18,24,37,40H,7-10,15-16H2,1-4H3;1H/t18-,24-,26-,27+;/m1./s1
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| InChIKey |
KHSLTERGZVYXHE-VOCJGXBTSA-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