General Information of the Compound
| Compound ID |
CP0870502
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| Compound Name |
(R)-2-((S)-2-((R)-2-((R)-2-acetamido-3-(4-iodophenyl)propanamido)-3-(naphthalen-2-yl)propanamido)-3-(1H-indol-3-yl)propanamido)-6-aminohexanamide
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| Formula |
C41H46IN7O5
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| Molecular Weight |
843.767
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| Canonical SMILES |
CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCCCN)C(N)=O
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| InChI |
InChI=1S/C41H46IN7O5/c1-25(50)46-35(21-26-14-17-31(42)18-15-26)39(52)48-36(22-27-13-16-28-8-2-3-9-29(28)20-27)40(53)49-37(23-30-24-45-33-11-5-4-10-32(30)33)41(54)47-34(38(44)51)12-6-7-19-43/h2-5,8-11,13-18,20,24,34-37,45H,6-7,12,19,21-23,43H2,1H3,(H2,44,51)(H,46,50)(H,47,54)(H,48,52)(H,49,53)/t34-,35-,36-,37+/m1/s1
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| InChIKey |
KJJYWTBWCJTCNW-BWFYGAPHSA-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: PT02450, Melanocortin receptor 3
Protein ID: PT01431, Melanocortin receptor 4
Protein ID: PT01528, Melanocortin receptor 5