General Information of the Compound
| Compound ID |
CP0384595
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| Compound Name |
Ac-His-DPhe(pBz)-Arg-Trp-NH2
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| Structure |
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| Formula |
C41H49N11O5
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| Molecular Weight |
775.915
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| Canonical SMILES |
CC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccc(Cc2ccccc2)cc1)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O
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| InChI |
InChI=1S/C41H49N11O5/c1-25(53)49-36(21-30-23-45-24-48-30)40(57)52-35(19-28-15-13-27(14-16-28)18-26-8-3-2-4-9-26)39(56)50-33(12-7-17-46-41(43)44)38(55)51-34(37(42)54)20-29-22-47-32-11-6-5-10-31(29)32/h2-6,8-11,13-16,22-24,33-36,47H,7,12,17-21H2,1H3,(H2,42,54)(H,45,48)(H,49,53)(H,50,56)(H,51,55)(H,52,57)(H4,43,44,46)/t33-,34-,35+,36-/m0/s1
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| InChIKey |
IAXQJICNQNNYCU-KFIZHRIMSA-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