General Information of the Compound
| Compound ID |
CP0847012
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| Compound Name |
(+/-)-2-[6-(6-Fluoro-1H-indazol-3-ylmethylene)-5,7-dioxo-4-(3-pyridinyl)-4,5,6,7-tetrahydro-1H-1,4-diazepin-1-yl]-N-(1-methylethyl)-N-[4-(methyloxy)phenyl]acetamide
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| Structure |
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| Formula |
C30H29FN6O4
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| Molecular Weight |
556.598
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| Canonical SMILES |
COc1ccc(N(C(=O)CN2C=CN(c3cccnc3)C(=O)C(Cc3n[nH]c4cc(F)ccc34)C2=O)C(C)C)cc1
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| InChI |
InChI=1S/C30H29FN6O4/c1-19(2)37(21-7-9-23(41-3)10-8-21)28(38)18-35-13-14-36(22-5-4-12-32-17-22)30(40)25(29(35)39)16-27-24-11-6-20(31)15-26(24)33-34-27/h4-15,17,19,25H,16,18H2,1-3H3,(H,33,34)
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| InChIKey |
OYVSMJVANLWGII-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