General Information of the Compound
| Compound ID |
CP0897229
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| Compound Name |
(R)-2-[2,4-Dioxo-3-(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 |
C31H31N5O4
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| Molecular Weight |
537.62
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| Canonical SMILES |
COc1ccc(N(C(=O)CN2C=CN(c3ccccc3)C(=O)[C@H](Cc3n[nH]c4ccccc34)C2=O)C(C)C)cc1
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| InChI |
InChI=1S/C31H31N5O4/c1-21(2)36(23-13-15-24(40-3)16-14-23)29(37)20-34-17-18-35(22-9-5-4-6-10-22)31(39)26(30(34)38)19-28-25-11-7-8-12-27(25)32-33-28/h4-18,21,26H,19-20H2,1-3H3,(H,32,33)/t26-/m1/s1
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| InChIKey |
UDBSKDWEDIFMQS-AREMUKBSSA-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