General Information of the Compound
| Compound ID |
CP0486686
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| Compound Name |
Ac-YK[CEHdFRWC]-NH2
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| Synonyms |
Ac-YK[CEHdFRWC]-NH2
CHEMBL412495
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| Structure |
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| Formula |
C60H79N17O13S2
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| Molecular Weight |
1310.532
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| Canonical SMILES |
CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCCN)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](Cc2cnc[nH]2)NC(=O)[C@@H](CCC(O)=O)NC1=O)C(N)=O
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| InChI |
InChI=1S/C60H79N17O13S2/c1-33(78)69-44(25-35-16-18-38(79)19-17-35)55(86)70-41(14-7-8-22-61)53(84)77-49-31-92-91-30-48(51(62)82)76-57(88)46(26-36-28-67-40-13-6-5-12-39(36)40)74-52(83)42(15-9-23-66-60(63)64)71-56(87)45(24-34-10-3-2-4-11-34)73-58(89)47(27-37-29-65-32-68-37)75-54(85)43(72-59(49)90)20-21-50(80)81/h2-6,10-13,16-19,28-29,32,41-49,67,79H,7-9,14-15,20-27,30-31,61H2,1H3,(H2,62,82)(H,65,68)(H,69,78)(H,70,86)(H,71,87)(H,72,90)(H,73,89)(H,74,83)(H,75,85)(H,76,88)(H,77,84)(H,80,81)(H4,63,64,66)/t41-,42-,43+,44-,45-,46+,47-,48+,49+/m0/s1
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| InChIKey |
ASUAOIWGQADQOH-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