General Information of the Compound
| Compound ID |
CP0874910
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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-fluorophenyl)N-isopropylacetamide
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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 |
COC1(Cc2n[nH]c3ccccc23)C(=O)N(CC(=O)N(c2ccc(F)cc2)C(C)C)C=CN(c2ccccc2)C1=O
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| InChI |
InChI=1S/C31H30FN5O4/c1-21(2)37(24-15-13-22(32)14-16-24)28(38)20-35-17-18-36(23-9-5-4-6-10-23)30(40)31(41-3,29(35)39)19-27-25-11-7-8-12-26(25)33-34-27/h4-18,21H,19-20H2,1-3H3,(H,33,34)
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| InChIKey |
ULQVKSKMAPZMED-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