General Information of the Compound
| Compound ID |
CP0482274
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| Compound Name |
(2R)-2-[[(2S)-2-acetamido-3-(1H-imidazol-5-yl)propanoyl]amino]-N-[(2S)-1-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-3-phenylpropanamide
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| Structure |
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| Formula |
C34H38N10O5
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| Molecular Weight |
666.743
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| Canonical SMILES |
CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
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| InChI |
InChI=1S/C34H38N10O5/c1-20(45)41-29(13-23-16-36-18-39-23)33(48)43-28(11-21-7-3-2-4-8-21)32(47)44-30(14-24-17-37-19-40-24)34(49)42-27(31(35)46)12-22-15-38-26-10-6-5-9-25(22)26/h2-10,15-19,27-30,38H,11-14H2,1H3,(H2,35,46)(H,36,39)(H,37,40)(H,41,45)(H,42,49)(H,43,48)(H,44,47)/t27-,28+,29-,30-/m0/s1
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| InChIKey |
RJCHODGMSNLDGL-XJYHXZFBSA-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