General Information of the Compound
| Compound ID |
CP0439032
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| Compound Name |
N-[(2R)-3-(4-chlorophenyl)-1-[4-[2-(diethylamino)-1-(2-fluorophenyl)ethyl]piperazin-1-yl]-1-oxopropan-2-yl]-1,1-dimethyl-3,4-dihydro-2H-isoquinoline-3-carboxamide
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| Structure |
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| Formula |
C37H47ClFN5O2
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| Molecular Weight |
648.267
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| Canonical SMILES |
CCN(CC)CC(N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)C1Cc2ccccc2C(C)(C)N1)c1ccccc1F
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| InChI |
InChI=1S/C37H47ClFN5O2/c1-5-42(6-2)25-34(29-12-8-10-14-31(29)39)43-19-21-44(22-20-43)36(46)33(23-26-15-17-28(38)18-16-26)40-35(45)32-24-27-11-7-9-13-30(27)37(3,4)41-32/h7-18,32-34,41H,5-6,19-25H2,1-4H3,(H,40,45)/t32?,33-,34?/m1/s1
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| InChIKey |
HEILVIDOVAHKRM-QVGGVDQBSA-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