General Information of the Compound
| Compound ID |
CP0464511
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| Compound Name |
1-(3-(4-(2-(4-hydroxybenzyl)-1H-indol-3-yl)-N-benzylbutanamido)cyclohexyl)-3-(3-aminocyclohexyl)urea
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| Structure |
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| Formula |
C39H49N5O3
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| Molecular Weight |
635.853
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| Canonical SMILES |
NC1CCCC(C1)NC(=O)NC1CCCC(C1)N(Cc1ccccc1)C(=O)CCCc1c(Cc2ccc(O)cc2)[nH]c2ccccc12
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| InChI |
InChI=1S/C39H49N5O3/c40-29-11-6-12-30(24-29)41-39(47)42-31-13-7-14-32(25-31)44(26-28-9-2-1-3-10-28)38(46)18-8-16-35-34-15-4-5-17-36(34)43-37(35)23-27-19-21-33(45)22-20-27/h1-5,9-10,15,17,19-22,29-32,43,45H,6-8,11-14,16,18,23-26,40H2,(H2,41,42,47)
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| InChIKey |
SITGVIABEDNZGQ-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