General Information of the Compound
| Compound ID |
CP0404219
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| Compound Name |
Ac-His-D-Phe-Arg-2Thi-NH2
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| Structure |
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| Formula |
C30H40N10O5S
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| Molecular Weight |
652.782
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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](Cc1cccs1)C(N)=O
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| InChI |
InChI=1S/C30H40N10O5S/c1-18(41)37-25(14-20-16-34-17-36-20)29(45)40-24(13-19-7-3-2-4-8-19)28(44)38-22(10-5-11-35-30(32)33)27(43)39-23(26(31)42)15-21-9-6-12-46-21/h2-4,6-9,12,16-17,22-25H,5,10-11,13-15H2,1H3,(H2,31,42)(H,34,36)(H,37,41)(H,38,44)(H,39,43)(H,40,45)(H4,32,33,35)/t22-,23+,24-,25-/m0/s1
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| InChIKey |
GPEVQQNWXZZSBB-NDBXHCKUSA-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