General Information of the Compound
| Compound ID |
CP0874344
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| Compound Name |
(+/-)-2-[2,4-Dioxo-3-(6-fluoro-1H-indazol-3-ylmethylene)-5-phenyl-2,3,4,5-tetrahydro-1H-1,5-diazepin-1-yl]-N-isopropyl-N-(4-methoxyphenyl)acetamide
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| Structure |
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| Formula |
C31H30FN5O4
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| Molecular Weight |
555.61
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| Canonical SMILES |
COc1ccc(N(C(=O)CN2C=CN(c3ccccc3)C(=O)C(Cc3n[nH]c4cc(F)ccc34)C2=O)C(C)C)cc1
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| InChI |
InChI=1S/C31H30FN5O4/c1-20(2)37(23-10-12-24(41-3)13-11-23)29(38)19-35-15-16-36(22-7-5-4-6-8-22)31(40)26(30(35)39)18-28-25-14-9-21(32)17-27(25)33-34-28/h4-17,20,26H,18-19H2,1-3H3,(H,33,34)
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| InChIKey |
YLSABINEEGRQGI-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