General Information of the Compound
| Compound ID |
CP0497207
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| Compound Name |
(R)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid {(R)-1-(4-chloro-benzyl)-2-[4-cyclohexyl-4-(6-oxo-7-oxa-5-aza-spiro[3.4]oct-5-ylmethyl)-piperidin-1-yl]-2-oxo-ethyl}-amide
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| Structure |
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| Formula |
C37H47ClN4O4
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| Molecular Weight |
647.26
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| Canonical SMILES |
Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCC(CN3C(=O)OCC33CCC3)(CC2)C2CCCCC2)cc1
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| InChI |
InChI=1S/C37H47ClN4O4/c38-30-13-11-26(12-14-30)21-32(40-33(43)31-22-27-7-4-5-8-28(27)23-39-31)34(44)41-19-17-36(18-20-41,29-9-2-1-3-10-29)24-42-35(45)46-25-37(42)15-6-16-37/h4-5,7-8,11-14,29,31-32,39H,1-3,6,9-10,15-25H2,(H,40,43)/t31-,32-/m1/s1
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| InChIKey |
KPAXZSMXFNRRAR-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