General Information of the Compound
| Compound ID |
CP0845516
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| Compound Name |
(3R,4R,5S)-1-{[(3S,4R)-4-(2,4-Difluorophenyl)-1-pyridazin-3-ylpyrrolidin-3-yl]carbonyl}-3,5-dimethyl-4-propylpiperidin-4-ol Hydrochloride
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| Formula |
C25H33ClF2N4O2
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| Molecular Weight |
495.014
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| Canonical SMILES |
CCC[C@@]1(O)[C@H](C)CN(C(=O)[C@H]2CN(c3cccnn3)C[C@@H]2c2ccc(F)cc2F)C[C@@H]1C.Cl
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| InChI |
InChI=1S/C25H32F2N4O2.ClH/c1-4-9-25(33)16(2)12-31(13-17(25)3)24(32)21-15-30(23-6-5-10-28-29-23)14-20(21)19-8-7-18(26)11-22(19)27;/h5-8,10-11,16-17,20-21,33H,4,9,12-15H2,1-3H3;1H/t16-,17+,20-,21+,25-;/m1./s1
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| InChIKey |
HSGRXTMDRODSCQ-AMMQLTGASA-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: PT00911, Melanocyte-stimulating hormone receptor
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2