General Information of the Compound
| Compound ID |
CP0846974
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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-(4-fluorophenyl)-N-isopropylacetamide
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| Structure |
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| Formula |
C30H27F2N5O3
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| Molecular Weight |
543.574
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| Canonical SMILES |
CC(C)N(C(=O)CN1C=CN(c2ccccc2)C(=O)C(Cc2n[nH]c3cc(F)ccc23)C1=O)c1ccc(F)cc1
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| InChI |
InChI=1S/C30H27F2N5O3/c1-19(2)37(23-11-8-20(31)9-12-23)28(38)18-35-14-15-36(22-6-4-3-5-7-22)30(40)25(29(35)39)17-27-24-13-10-21(32)16-26(24)33-34-27/h3-16,19,25H,17-18H2,1-2H3,(H,33,34)
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| InChIKey |
CEHAQRHKZVSPBB-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