General Information of the Compound
| Compound ID |
CP0423973
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| Compound Name |
US9447148, 9.63
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| Structure |
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| Formula |
C38H62N12O8
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| Molecular Weight |
814.99
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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(C)cc2)NC(=O)[C@H](CCCN)NC1=O)C(N)=O
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| InChI |
InChI=1S/C38H62N12O8/c1-4-5-8-26(45-23(3)51)33(54)49-29-15-16-31(52)43-20-17-25(32(40)53)46-34(55)28(10-7-19-44-38(41)42)48-37(58)30(21-24-13-11-22(2)12-14-24)50-35(56)27(9-6-18-39)47-36(29)57/h11-14,25-30H,4-10,15-21,39H2,1-3H3,(H2,40,53)(H,43,52)(H,45,51)(H,46,55)(H,47,57)(H,48,58)(H,49,54)(H,50,56)(H4,41,42,44)/t25-,26-,27-,28-,29-,30+/m0/s1
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| InChIKey |
OLBFXUPENABWTP-NXUCNJKMSA-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