General Information of the Compound
| Compound ID |
CP0868530
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| Compound Name |
(R)-2-((S)-2-((S)-2-((R)-2-acetamido-3-(4-iodophenyl)propanamido)-5-guanidinopentanamido)-3-(1H-indol-3-yl)propanamido)-6-aminohexanamide
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| Formula |
C34H47IN10O5
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| Molecular Weight |
802.719
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| Canonical SMILES |
CC(=O)N[C@H](Cc1ccc(I)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CCCCN)C(N)=O
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| InChI |
InChI=1S/C34H47IN10O5/c1-20(46)42-28(17-21-11-13-23(35)14-12-21)32(49)44-27(10-6-16-40-34(38)39)31(48)45-29(18-22-19-41-25-8-3-2-7-24(22)25)33(50)43-26(30(37)47)9-4-5-15-36/h2-3,7-8,11-14,19,26-29,41H,4-6,9-10,15-18,36H2,1H3,(H2,37,47)(H,42,46)(H,43,50)(H,44,49)(H,45,48)(H4,38,39,40)/t26-,27+,28-,29+/m1/s1
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| InChIKey |
UAOJABQTKZYSHG-AIQXTLEGSA-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
Protein ID: PT01440, Melanocyte-stimulating hormone receptor