General Information of the Compound
| Compound ID |
CP0376349
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| Compound Name |
(R)-N-((R)-3-(4-chlorophenyl)-1-(4-cyclohexyl-4-((N-isopropylmethan-2-ylsulfonamido)methyl)piperidin-1-yl)-1-oxopropan-2-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
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| Structure |
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| Formula |
C35H49ClN4O4S
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| Molecular Weight |
657.321
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| Canonical SMILES |
CC(C)N(CC1(CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1)C1CCCCC1)S(C)(=O)=O
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| InChI |
InChI=1S/C35H49ClN4O4S/c1-25(2)40(45(3,43)44)24-35(29-11-5-4-6-12-29)17-19-39(20-18-35)34(42)32(21-26-13-15-30(36)16-14-26)38-33(41)31-22-27-9-7-8-10-28(27)23-37-31/h7-10,13-16,25,29,31-32,37H,4-6,11-12,17-24H2,1-3H3,(H,38,41)/t31-,32-/m1/s1
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| InChIKey |
WRXWCWIFEFKMJL-ROJLCIKYSA-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