General Information of the Compound
| Compound ID |
CP0435763
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| Compound Name |
N-[4-[(4-aminocyclohexyl)methyl]cyclohexyl]-N-[(4-cyanophenyl)methyl]-4-[2-[(4-hydroxyphenyl)methyl]-1H-indol-3-yl]butanamide
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| Structure |
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| Formula |
C40H48N4O2
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| Molecular Weight |
616.85
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| Canonical SMILES |
NC1CCC(CC2CCC(CC2)N(Cc2ccc(cc2)C#N)C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)CC1
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| InChI |
InChI=1S/C40H48N4O2/c41-26-31-8-10-32(11-9-31)27-44(34-20-14-29(15-21-34)24-28-12-18-33(42)19-13-28)40(46)7-3-5-37-36-4-1-2-6-38(36)43-39(37)25-30-16-22-35(45)23-17-30/h1-2,4,6,8-11,16-17,22-23,28-29,33-34,43,45H,3,5,7,12-15,18-21,24-25,27,42H2
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| InChIKey |
ZGUGVYGIVPYDMM-UHFFFAOYSA-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: PT00914, Melanocortin receptor 4
Protein ID: PT01804, Melanocortin receptor 5
Protein ID: PT01440, Melanocyte-stimulating hormone receptor