General Information of the Compound
| Compound ID |
CP0400321
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| Compound Name |
N-[2-[4-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]piperazin-1-yl]-4-methylpentyl]-N-propan-2-ylacetamide
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| Structure |
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| Formula |
C30H48F2N4O2
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| Molecular Weight |
534.736
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| Canonical SMILES |
CC(C)CC(CN(C(C)C)C(C)=O)N1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(F)cc1F)C(C)(C)C
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| InChI |
InChI=1S/C30H48F2N4O2/c1-20(2)15-24(17-36(21(3)4)22(5)37)33-11-13-34(14-12-33)29(38)27-19-35(30(6,7)8)18-26(27)25-10-9-23(31)16-28(25)32/h9-10,16,20-21,24,26-27H,11-15,17-19H2,1-8H3/t24?,26-,27+/m0/s1
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| InChIKey |
NRXOSRAXRKFLQU-CUBVPSHMSA-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: PT01804, Melanocortin receptor 5
Protein ID: PT00911, Melanocyte-stimulating hormone receptor