General Information of the Compound
| Compound ID |
CP0534404
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| Compound Name |
(1R)-1-[(4S)-3-(1-adamantylmethyl)-1-[(1R)-1-[(2S)-2-[[(5R)-2-amino-5-propan-2-yl-4,5-dihydroimidazol-1-yl]methyl]pyrrolidin-1-yl]-2-cyclohexylethyl]-2-iminoimidazolidin-4-yl]ethanol
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| Formula |
C35H61N7O
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| Molecular Weight |
595.921
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| Canonical SMILES |
CC(C)[C@@H]1CNC(=N)N1C[C@@H]1CCCN1[C@@H](CC1CCCCC1)N1C[C@@H]([C@@H](C)O)N(CC23CC4CC(CC(C4)C2)C3)C1=N
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| InChI |
InChI=1S/C35H61N7O/c1-23(2)30-19-38-33(36)40(30)20-29-10-7-11-39(29)32(15-25-8-5-4-6-9-25)41-21-31(24(3)43)42(34(41)37)22-35-16-26-12-27(17-35)14-28(13-26)18-35/h23-32,37,43H,4-22H2,1-3H3,(H2,36,38)/t24-,26?,27?,28?,29+,30+,31+,32-,35?/m1/s1
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| InChIKey |
OKZXFXHBCZJFEJ-OUQQWPLESA-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: PT02450, Melanocortin receptor 3
Protein ID: PT01431, Melanocortin receptor 4
Protein ID: PT01528, Melanocortin receptor 5
Protein ID: PT01440, Melanocyte-stimulating hormone receptor