General Information of the Compound
| Compound ID |
CP0888182
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| Compound Name |
US8846601, 155
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| Structure |
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| Formula |
C48H69N17O10
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| Molecular Weight |
1044.189
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| Canonical SMILES |
CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H]1CCCCNC(=O)C[C@@H](C(N)=O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC1=O
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| InChI |
InChI=1S/C48H69N17O10/c1-26(66)59-31(16-9-19-56-47(51)52)41(70)60-32-15-7-8-18-55-39(68)24-34(40(50)69)62-45(74)36(22-28-25-58-30-14-6-5-13-29(28)30)64-43(72)33(17-10-20-57-48(53)54)61-44(73)35(21-27-11-3-2-4-12-27)63-46(75)37(23-38(49)67)65-42(32)71/h2-6,11-14,25,31-37,58H,7-10,15-24H2,1H3,(H2,49,67)(H2,50,69)(H,55,68)(H,59,66)(H,60,70)(H,61,73)(H,62,74)(H,63,75)(H,64,72)(H,65,71)(H4,51,52,56)(H4,53,54,57)/t31-,32-,33-,34-,35+,36-,37-/m0/s1
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| InChIKey |
GTMASPVXPKDKOK-VWUVXGKKSA-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: PT00914, Melanocortin receptor 4
Protein ID: PT00911, Melanocyte-stimulating hormone receptor