General Information of the Compound
| Compound ID |
CP0156912
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| Compound Name |
N-[(1S)-1-[2-[1-[(3S,4R)-1-tert-butyl-4-naphthalen-2-ylpyrrolidine-3-carbonyl]piperidin-4-yl]-5-chlorophenyl]propyl]acetamide
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| Structure |
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| Formula |
C35H44ClN3O2
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| Molecular Weight |
574.209
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| Canonical SMILES |
CC[C@H](NC(C)=O)c1cc(Cl)ccc1C1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1ccc2ccccc2c1)C(C)(C)C
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| InChI |
InChI=1S/C35H44ClN3O2/c1-6-33(37-23(2)40)30-20-28(36)13-14-29(30)25-15-17-38(18-16-25)34(41)32-22-39(35(3,4)5)21-31(32)27-12-11-24-9-7-8-10-26(24)19-27/h7-14,19-20,25,31-33H,6,15-18,21-22H2,1-5H3,(H,37,40)/t31-,32+,33-/m0/s1
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| InChIKey |
BKPWIYNAJFNIBS-DSPMFFIESA-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: PT00914, Melanocortin receptor 4
Protein ID: PT01804, Melanocortin receptor 5