General Information of the Compound
| Compound ID |
CP0493416
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| Compound Name |
US9447148, 9.56
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| Structure |
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| Formula |
C37H60N12O8
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| Molecular Weight |
800.963
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| Canonical SMILES |
CCCC[C@H](NC(C)=O)C(=O)N[C@H]1CCC(=O)NCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCCN)NC1=O)C(N)=O
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| InChI |
InChI=1S/C37H60N12O8/c1-3-4-12-25(44-22(2)50)32(53)48-28-15-16-30(51)42-20-17-24(31(39)52)45-33(54)27(14-9-19-43-37(40)41)47-36(57)29(21-23-10-6-5-7-11-23)49-34(55)26(13-8-18-38)46-35(28)56/h5-7,10-11,24-29H,3-4,8-9,12-21,38H2,1-2H3,(H2,39,52)(H,42,51)(H,44,50)(H,45,54)(H,46,56)(H,47,57)(H,48,53)(H,49,55)(H4,40,41,43)/t24-,25-,26-,27-,28-,29+/m0/s1
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| InChIKey |
FRSBJCUOMWNZAN-VEIVPZTASA-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