General Information of the Compound
| Compound ID |
CP0394368
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| Compound Name |
Ac-His-D-Phe-Arg-Dip-NH2
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| Structure |
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| Formula |
C38H46N10O5
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| Molecular Weight |
722.851
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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](CCCNC(N)=N)C(=O)N[C@H](C(c1ccccc1)c1ccccc1)C(N)=O
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| InChI |
InChI=1S/C38H46N10O5/c1-24(49)45-31(21-28-22-42-23-44-28)37(53)47-30(20-25-12-5-2-6-13-25)36(52)46-29(18-11-19-43-38(40)41)35(51)48-33(34(39)50)32(26-14-7-3-8-15-26)27-16-9-4-10-17-27/h2-10,12-17,22-23,29-33H,11,18-21H2,1H3,(H2,39,50)(H,42,44)(H,45,49)(H,46,52)(H,47,53)(H,48,51)(H4,40,41,43)/t29-,30-,31-,33+/m0/s1
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| InChIKey |
NHKOQCMKWPGYPI-DKWHRJCPSA-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