General Information of the Compound
| Compound ID |
CP0436210
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| Compound Name |
Ac-YR[CE(1-Me-H)dFRWC]-NH2
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| Synonyms |
Ac-YR[CE(1-Me-H)dFRWC]-NH2
CHEMBL264132
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| Structure |
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| Formula |
C61H81N19O13S2
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| Molecular Weight |
1352.573
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| Canonical SMILES |
CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]1CSSC[C@@H](NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2cncn2C)NC(=O)[C@@H](CCC(O)=O)NC1=O)C(N)=O
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| InChI |
InChI=1S/C61H81N19O13S2/c1-33(81)71-44(25-35-16-18-38(82)19-17-35)55(89)72-42(15-9-23-69-61(65)66)53(87)79-49-31-95-94-30-48(51(62)85)78-57(91)46(26-36-28-70-40-13-7-6-12-39(36)40)76-52(86)41(14-8-22-68-60(63)64)73-56(90)45(24-34-10-4-3-5-11-34)75-58(92)47(27-37-29-67-32-80(37)2)77-54(88)43(74-59(49)93)20-21-50(83)84/h3-7,10-13,16-19,28-29,32,41-49,70,82H,8-9,14-15,20-27,30-31H2,1-2H3,(H2,62,85)(H,71,81)(H,72,89)(H,73,90)(H,74,93)(H,75,92)(H,76,86)(H,77,88)(H,78,91)(H,79,87)(H,83,84)(H4,63,64,68)(H4,65,66,69)/t41-,42-,43+,44-,45-,46+,47-,48+,49+/m0/s1
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| InChIKey |
JCRBBWBYSVHLIT-PYPSSTHSSA-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