General Information of the Compound
| Compound ID |
CP0424314
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| Compound Name |
N-[4-[(4-aminocyclohexyl)methyl]cyclohexyl]-N-[(E)-3-(2-bromo-4,5-dimethoxyphenyl)prop-2-enyl]-4-[2-[(4-hydroxyphenyl)methyl]-1H-indol-3-yl]butanamide
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| Structure |
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| Formula |
C43H54BrN3O4
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| Molecular Weight |
756.826
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| Canonical SMILES |
COc1cc(Br)c(\C=C\CN(C2CCC(CC3CCC(N)CC3)CC2)C(=O)CCCc2c(Cc3ccc(O)cc3)[nH]c3ccccc23)cc1OC
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| InChI |
InChI=1S/C43H54BrN3O4/c1-50-41-27-32(38(44)28-42(41)51-2)7-6-24-47(34-20-14-30(15-21-34)25-29-12-18-33(45)19-13-29)43(49)11-5-9-37-36-8-3-4-10-39(36)46-40(37)26-31-16-22-35(48)23-17-31/h3-4,6-8,10,16-17,22-23,27-30,33-34,46,48H,5,9,11-15,18-21,24-26,45H2,1-2H3/b7-6+
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| InChIKey |
GPQMZEWRRBFAKD-VOTSOKGWSA-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