General Information of the Compound
| Compound ID |
CP0418598
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| Compound Name |
4-[(2R)-2-[(2S)-2-[[(5R)-2-amino-5-[(2S)-butan-2-yl]-4,5-dihydroimidazol-1-yl]methyl]pyrrolidin-1-yl]-2-[(4R)-4-benzyl-3-[(4-tert-butylcyclohexyl)methyl]-2-iminoimidazolidin-1-yl]ethyl]phenol
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| Formula |
C41H63N7O
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| Molecular Weight |
670.003
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| Canonical SMILES |
CC[C@H](C)[C@@H]1CNC(=N)N1C[C@@H]1CCCN1[C@@H](Cc1ccc(O)cc1)N1C[C@@H](Cc2ccccc2)N(CC2CCC(CC2)C(C)(C)C)C1=N
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| InChI |
InChI=1S/C41H63N7O/c1-6-29(2)37-25-44-39(42)47(37)27-34-13-10-22-45(34)38(24-31-16-20-36(49)21-17-31)48-28-35(23-30-11-8-7-9-12-30)46(40(48)43)26-32-14-18-33(19-15-32)41(3,4)5/h7-9,11-12,16-17,20-21,29,32-35,37-38,43,49H,6,10,13-15,18-19,22-28H2,1-5H3,(H2,42,44)/t29-,32?,33?,34-,35+,37-,38+/m0/s1
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| InChIKey |
MNRUUGFLGBMLCW-BQJGZSGRSA-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: PT01528, Melanocortin receptor 5
Protein ID: PT01440, Melanocyte-stimulating hormone receptor