General Information of the Compound
| Compound ID |
CP0382832
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| Compound Name |
N-[2-[4-[(3S,4R)-1-tert-butyl-4-(2,4-difluorophenyl)pyrrolidine-3-carbonyl]piperazin-1-yl]-2-cyclohexylethyl]-N-propan-2-ylpyridazine-3-carboxamide
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| Structure |
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| Formula |
C35H50F2N6O2
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| Molecular Weight |
624.821
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| Canonical SMILES |
CC(C)N(CC(C1CCCCC1)N1CCN(CC1)C(=O)[C@@H]1CN(C[C@H]1c1ccc(F)cc1F)C(C)(C)C)C(=O)c1cccnn1
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| InChI |
InChI=1S/C35H50F2N6O2/c1-24(2)43(34(45)31-12-9-15-38-39-31)23-32(25-10-7-6-8-11-25)40-16-18-41(19-17-40)33(44)29-22-42(35(3,4)5)21-28(29)27-14-13-26(36)20-30(27)37/h9,12-15,20,24-25,28-29,32H,6-8,10-11,16-19,21-23H2,1-5H3/t28-,29+,32?/m0/s1
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| InChIKey |
DOVNDOSDULTCGE-QSVHXPHUSA-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