General Information of the Compound
| Compound ID |
CP0858959
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| Compound Name |
(3R,4R,5S)-4-(2,4-Difluorophenyl)-1-{[(3S,4R)-4-(2,4-difluorophenyl)-1-ethylpyrrolidin-3-yl]carbonyl}-3,5-dimethylpiperidin-4-ol Hydrochloride
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| Formula |
C26H31ClF4N2O2
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| Molecular Weight |
514.991
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| Canonical SMILES |
CCN1C[C@@H](C(=O)N2C[C@@H](C)[C@](O)(c3ccc(F)cc3F)[C@@H](C)C2)[C@H](c2ccc(F)cc2F)C1.Cl
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| InChI |
InChI=1S/C26H30F4N2O2.ClH/c1-4-31-13-20(19-7-5-17(27)9-23(19)29)21(14-31)25(33)32-11-15(2)26(34,16(3)12-32)22-8-6-18(28)10-24(22)30;/h5-10,15-16,20-21,34H,4,11-14H2,1-3H3;1H/t15-,16+,20-,21+,26-;/m0./s1
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| InChIKey |
IUSIXSQZRMUVBB-GZZYYKBXSA-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