General Information of the Compound
| Compound ID |
CP0481223
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| Compound Name |
US9447148, 9.62
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| Structure |
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| Formula |
C37H58F2N12O8
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| Molecular Weight |
836.943
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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](Cc2ccc(F)c(F)c2)NC(=O)[C@H](CCCN)NC1=O)C(N)=O
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| InChI |
InChI=1S/C37H58F2N12O8/c1-3-4-7-25(46-20(2)52)32(55)50-28-12-13-30(53)44-17-14-24(31(41)54)47-33(56)27(9-6-16-45-37(42)43)49-36(59)29(19-21-10-11-22(38)23(39)18-21)51-34(57)26(8-5-15-40)48-35(28)58/h10-11,18,24-29H,3-9,12-17,19,40H2,1-2H3,(H2,41,54)(H,44,53)(H,46,52)(H,47,56)(H,48,58)(H,49,59)(H,50,55)(H,51,57)(H4,42,43,45)/t24-,25-,26-,27-,28-,29+/m0/s1
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| InChIKey |
ZMDKMQDQUZMALA-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