General Information of the Compound
| Compound ID |
CP0436725
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| Compound Name |
(S)-2-{2-[{(S)-2-[(S)-2-Acetylamino-3-(1H-imidazol-4-yl)-propionylamino]-3-phenyl-propionyl}-(3-guanidino-propyl)-amino]-acetylamino}-3-(1H-indol-3-yl)-propionamide
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| Structure |
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| Formula |
C34H43N11O5
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| Molecular Weight |
685.79
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| Canonical SMILES |
CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N(CCCNC(N)=N)CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
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| InChI |
InChI=1S/C34H43N11O5/c1-21(46)42-28(16-24-18-38-20-41-24)32(49)44-29(14-22-8-3-2-4-9-22)33(50)45(13-7-12-39-34(36)37)19-30(47)43-27(31(35)48)15-23-17-40-26-11-6-5-10-25(23)26/h2-6,8-11,17-18,20,27-29,40H,7,12-16,19H2,1H3,(H2,35,48)(H,38,41)(H,42,46)(H,43,47)(H,44,49)(H4,36,37,39)/t27-,28-,29-/m0/s1
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| InChIKey |
OJCGTUCBGQEMMX-AWCRTANDSA-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