General Information of the Compound
| Compound ID |
CP0955290
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| Compound Name |
(2R,4S,8a'S)-N-{(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl}-2-(4-fluoro-2-methylphenyl)-N,8a'-dimethylhexahydro-1Hspiro[piperidine-4,6'-pyrrolo[2,1-c][1,4]oxazine]-1-carboxamide hydrochloride
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| Structure |
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| Formula |
C31H37ClF7N3O2
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| Molecular Weight |
652.095
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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@@]1(C)COCCN12.Cl
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| InChI |
InChI=1S/C31H36F7N3O2.ClH/c1-19-13-24(32)5-6-25(19)26-17-29(8-7-28(3)18-43-12-11-41(28)29)9-10-40(26)27(42)39(4)20(2)21-14-22(30(33,34)35)16-23(15-21)31(36,37)38;/h5-6,13-16,20,26H,7-12,17-18H2,1-4H3;1H/t20-,26-,28+,29+;/m1./s1
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| InChIKey |
UYNFKSNQZDTHAA-DEALFTAISA-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