General Information of the Compound
| Compound ID |
CP0376348
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| Compound Name |
ethyl N-[[1-[(2R)-3-(4-chlorophenyl)-2-[[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]amino]propanoyl]-4-cyclohexylpiperidin-4-yl]methyl]-N-propan-2-ylcarbamate
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| Structure |
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| Formula |
C37H51ClN4O4
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| Molecular Weight |
651.292
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| Canonical SMILES |
CCOC(=O)N(CC1(CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1)C1CCCCC1)C(C)C
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| InChI |
InChI=1S/C37H51ClN4O4/c1-4-46-36(45)42(26(2)3)25-37(30-12-6-5-7-13-30)18-20-41(21-19-37)35(44)33(22-27-14-16-31(38)17-15-27)40-34(43)32-23-28-10-8-9-11-29(28)24-39-32/h8-11,14-17,26,30,32-33,39H,4-7,12-13,18-25H2,1-3H3,(H,40,43)/t32-,33-/m1/s1
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| InChIKey |
HXKRGRRDOBSQCO-CZNDPXEESA-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: PT00911, Melanocyte-stimulating hormone receptor