General Information of the Compound
| Compound ID |
CP0874311
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| Compound Name |
2-[2,4-Dioxo-3-(1H-indazol-3-ylmethylene)-5-phenyl-2,3.4.5-tetrahydro-1H-1,5-diazepin-1-yl]-N-(4-hydroxyphenyl)-N-isopropylacetamide hydrochloride
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| Structure |
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| Formula |
C30H30ClN5O4
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| Molecular Weight |
560.054
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| Canonical SMILES |
CC(C)N(C(=O)CN1C=CN(c2ccccc2)C(=O)C(Cc2n[nH]c3ccccc23)C1=O)c1ccc(O)cc1.Cl
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| InChI |
InChI=1S/C30H29N5O4.ClH/c1-20(2)35(22-12-14-23(36)15-13-22)28(37)19-33-16-17-34(21-8-4-3-5-9-21)30(39)25(29(33)38)18-27-24-10-6-7-11-26(24)31-32-27;/h3-17,20,25,36H,18-19H2,1-2H3,(H,31,32);1H
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| InChIKey |
LRWGDWQMZTWDLJ-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