General Information of the Compound
| Compound ID |
CP0296277
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| Compound Name |
1-[(R)-2-{4-[2-((S)-1-amino-3-methylbutyl)-4-trifluoromethylphenyl]-piperazin-1-yl}-1-(4-dichlorobenzyl)-2-oxoethyl]pyrrolidin-2-one
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| Structure |
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| Formula |
C29H36ClF3N4O2
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| Molecular Weight |
565.08
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| Canonical SMILES |
CC(C)C[C@H](N)c1cc(ccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)N1CCCC1=O)C(F)(F)F
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| InChI |
InChI=1S/C29H36ClF3N4O2/c1-19(2)16-24(34)23-18-21(29(31,32)33)7-10-25(23)35-12-14-36(15-13-35)28(39)26(37-11-3-4-27(37)38)17-20-5-8-22(30)9-6-20/h5-10,18-19,24,26H,3-4,11-17,34H2,1-2H3/t24-,26+/m0/s1
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| InChIKey |
GWQJQMUYAJRYAV-AZGAKELHSA-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