General Information of the Compound
| Compound ID |
CP0873848
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| Compound Name |
(+/-)-2-[6-(1H-Indazol-3-ylmethyl)-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 |
C30H30N6O4
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| Molecular Weight |
538.608
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| Canonical SMILES |
COc1ccc(N(C(=O)CN2C=CN(c3cccnc3)C(=O)C(Cc3n[nH]c4ccccc34)C2=O)C(C)C)cc1
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| InChI |
InChI=1S/C30H30N6O4/c1-20(2)36(21-10-12-23(40-3)13-11-21)28(37)19-34-15-16-35(22-7-6-14-31-18-22)30(39)25(29(34)38)17-27-24-8-4-5-9-26(24)32-33-27/h4-16,18,20,25H,17,19H2,1-3H3,(H,32,33)
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| InChIKey |
CQKINZXQHJBVRO-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