General Information of the Compound
| Compound ID |
CP0858960
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| Compound Name |
(3R,4R,5S)-1-{[(3S,4R)-4-(2,4-Difluorophenyl)-1-methylpyrrolidin-3-yl]carbonyl}-3,5-dimethyl-4-phenylpiperidin-4-ol Hydrochloride
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| Formula |
C25H31ClF2N2O2
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| Molecular Weight |
464.984
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| Canonical SMILES |
C[C@@H]1CN(C(=O)[C@@H]2CN(C)C[C@H]2c2ccc(F)cc2F)C[C@H](C)[C@@]1(O)c1ccccc1.Cl
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| InChI |
InChI=1S/C25H30F2N2O2.ClH/c1-16-12-29(13-17(2)25(16,31)18-7-5-4-6-8-18)24(30)22-15-28(3)14-21(22)20-10-9-19(26)11-23(20)27;/h4-11,16-17,21-22,31H,12-15H2,1-3H3;1H/t16-,17+,21-,22+,25-;/m0./s1
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| InChIKey |
ORARAYNNVCKREJ-CHLRSDRASA-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
Protein ID: PT01325, Melanocortin receptor 3
Protein ID: PT00914, Melanocortin receptor 4
Protein ID: PT01804, Melanocortin receptor 5
Protein ID: PT00911, Melanocyte-stimulating hormone receptor