General Information of the Compound
| Compound ID |
CP0846176
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| Compound Name |
(+/-)-2-[2,4-Dioxo-3-(1H-indazol-3-ylmethylene)-3-methoxy-5-phenyl-2,3,4,5-tetrahydro-1H-1,5-diazepin-1-yl]-N-(4-methoxyphenyl)N-isopropylacetamide
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| Structure |
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| Formula |
C32H33N5O5
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| Molecular Weight |
567.646
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| Canonical SMILES |
COc1ccc(N(C(=O)CN2C=CN(c3ccccc3)C(=O)C(Cc3n[nH]c4ccccc34)(OC)C2=O)C(C)C)cc1
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| InChI |
InChI=1S/C32H33N5O5/c1-22(2)37(24-14-16-25(41-3)17-15-24)29(38)21-35-18-19-36(23-10-6-5-7-11-23)31(40)32(42-4,30(35)39)20-28-26-12-8-9-13-27(26)33-34-28/h5-19,22H,20-21H2,1-4H3,(H,33,34)
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| InChIKey |
LAGRAGJZLSWLKI-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: PT00914, Melanocortin receptor 4
Protein ID: PT00911, Melanocyte-stimulating hormone receptor