General Information of the Compound
| Compound ID |
CP0852325
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| Compound Name |
(S)-3-((R)-2-((S)-2-acetamido-3-(1H-imidazol-4-yl)propanamido)-3-phenylpropanamido)-N-((S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl)-6-guanidinohexanamide
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| Structure |
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| Formula |
C35H45N11O5
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| Molecular Weight |
699.817
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| Canonical SMILES |
CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(=N)N)CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
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| InChI |
InChI=1S/C35H45N11O5/c1-21(47)43-30(16-25-19-39-20-42-25)34(51)46-29(14-22-8-3-2-4-9-22)33(50)44-24(10-7-13-40-35(37)38)17-31(48)45-28(32(36)49)15-23-18-41-27-12-6-5-11-26(23)27/h2-6,8-9,11-12,18-20,24,28-30,41H,7,10,13-17H2,1H3,(H2,36,49)(H,39,42)(H,43,47)(H,44,50)(H,45,48)(H,46,51)(H4,37,38,40)/t24-,28-,29+,30-/m0/s1
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| InChIKey |
FIBNUCOPNWMPIQ-ZPNBPFPUSA-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