General Information of the Compound
| Compound ID |
CP0391413
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| Compound Name |
2-{{2-[{2-[(2-{Acetyl-[2-(1H-imidazol-4-yl)-ethyl]-amino}-acetyl)-benzyl-amino]-acetyl}-(3-guanidino-propyl)-amino]-acetyl}-[2-(1H-indol-3-yl)-ethyl]-amino}-acetamide
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| Structure |
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| Formula |
C36H47N11O5
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| Molecular Weight |
713.844
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| Canonical SMILES |
CC(=O)N(CCc1cnc[nH]1)CC(=O)N(CC(=O)N(CCCNC(N)=N)CC(=O)N(CCc1c[nH]c2ccccc12)CC(N)=O)Cc1ccccc1
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| InChI |
InChI=1S/C36H47N11O5/c1-26(48)44(17-13-29-19-40-25-43-29)22-35(52)47(20-27-8-3-2-4-9-27)24-34(51)45(15-7-14-41-36(38)39)23-33(50)46(21-32(37)49)16-12-28-18-42-31-11-6-5-10-30(28)31/h2-6,8-11,18-19,25,42H,7,12-17,20-24H2,1H3,(H2,37,49)(H,40,43)(H4,38,39,41)
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| InChIKey |
LKZLTUVQBBWFAN-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: PT01528, Melanocortin receptor 5
Protein ID: PT01440, Melanocyte-stimulating hormone receptor