General Information of the Compound
| Compound ID |
CP0439884
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| Compound Name |
Ac-YRMEHdFRWG-NH2
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| Synonyms |
Ac-YRMEHdFRWG-NH2
CHEMBL266879
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| Structure |
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| Formula |
C61H83N19O13S
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| Molecular Weight |
1322.522
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| Canonical SMILES |
CSCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(C)=O)C(=O)N[C@@H](CCC(O)=O)C(=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](Cc1c[nH]c2ccccc12)C(=O)NCC(N)=O
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| InChI |
InChI=1S/C61H83N19O13S/c1-34(81)73-46(27-36-16-18-39(82)19-17-36)57(91)74-42(14-8-23-68-60(63)64)53(87)77-45(22-25-94-2)56(90)76-44(20-21-51(84)85)55(89)80-49(29-38-31-67-33-72-38)59(93)78-47(26-35-10-4-3-5-11-35)58(92)75-43(15-9-24-69-61(65)66)54(88)79-48(52(86)71-32-50(62)83)28-37-30-70-41-13-7-6-12-40(37)41/h3-7,10-13,16-19,30-31,33,42-49,70,82H,8-9,14-15,20-29,32H2,1-2H3,(H2,62,83)(H,67,72)(H,71,86)(H,73,81)(H,74,91)(H,75,92)(H,76,90)(H,77,87)(H,78,93)(H,79,88)(H,80,89)(H,84,85)(H4,63,64,68)(H4,65,66,69)/t42-,43-,44-,45-,46-,47+,48-,49-/m0/s1
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| InChIKey |
ZSONGANRJTVTCP-FHYJZJLOSA-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: PT01325, Melanocortin receptor 3
Protein ID: PT00914, Melanocortin receptor 4
Protein ID: PT01804, Melanocortin receptor 5
Protein ID: PT00911, Melanocyte-stimulating hormone receptor
Clinical Information about the Compound