General Information of the Compound
| Compound ID |
CP0861289
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| Compound Name |
US8846601, 156
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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]1CCCNC(=O)CC[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)59-32(14-8-20-56-47(51)52)41(70)61-33-15-7-19-55-39(68)18-17-31(40(50)69)60-45(74)36(23-28-25-58-30-13-6-5-12-29(28)30)64-42(71)34(16-9-21-57-48(53)54)62-44(73)35(22-27-10-3-2-4-11-27)63-46(75)37(24-38(49)67)65-43(33)72/h2-6,10-13,25,31-37,58H,7-9,14-24H2,1H3,(H2,49,67)(H2,50,69)(H,55,68)(H,59,66)(H,60,74)(H,61,70)(H,62,73)(H,63,75)(H,64,71)(H,65,72)(H4,51,52,56)(H4,53,54,57)/t31-,32+,33-,34-,35+,36-,37-/m0/s1
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| InChIKey |
BOAIJXQJMLWMSF-GWZAZKCQSA-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