General Information of the Compound
| Compound ID |
CP0448574
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| Compound Name |
2-({2-[(2-{[2-(Acetyl-benzyl-amino)-acetyl]-benzyl-amino}-acetyl)-(4-guanidino-butyl)-amino]-acetyl}-naphthalen-1-ylmethyl-amino)-acetamide
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| Structure |
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| Formula |
C40H48N8O5
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| Molecular Weight |
720.875
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| Canonical SMILES |
CC(=O)N(CC(=O)N(CC(=O)N(CCCCNC(N)=N)CC(=O)N(CC(N)=O)Cc1cccc2ccccc12)Cc1ccccc1)Cc1ccccc1
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| InChI |
InChI=1S/C40H48N8O5/c1-30(49)46(23-31-13-4-2-5-14-31)28-39(53)47(24-32-15-6-3-7-16-32)29-37(51)45(22-11-10-21-44-40(42)43)27-38(52)48(26-36(41)50)25-34-19-12-18-33-17-8-9-20-35(33)34/h2-9,12-20H,10-11,21-29H2,1H3,(H2,41,50)(H4,42,43,44)
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| InChIKey |
DCYJMYPHKDVHFV-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