General Information of the Compound
| Compound ID |
CP0920102
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| Compound Name |
[Mpa1, D-Tic2, Aib7]OT
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| Synonyms |
CHEMBL394268
[Mpa1, D-Tic2, Aib7]OT
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| Structure |
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| Formula |
C43H65N11O11S2
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| Molecular Weight |
976.193
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| Canonical SMILES |
CC[C@H](C)[C@@H]1NC(=O)[C@H]2Cc3ccccc3CN2C(=O)CCSSC[C@@H](C(=O)NC(C)(C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O
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| InChI |
InChI=1S/C43H65N11O11S2/c1-7-23(4)35-41(64)48-26(12-13-31(44)55)37(60)49-28(18-32(45)56)38(61)50-29(39(62)53-43(5,6)42(65)51-27(16-22(2)3)36(59)47-19-33(46)57)21-67-66-15-14-34(58)54-20-25-11-9-8-10-24(25)17-30(54)40(63)52-35/h8-11,22-23,26-30,35H,7,12-21H2,1-6H3,(H2,44,55)(H2,45,56)(H2,46,57)(H,47,59)(H,48,64)(H,49,60)(H,50,61)(H,51,65)(H,52,63)(H,53,62)/t23-,26-,27-,28-,29-,30+,35-/m0/s1
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| InChIKey |
JBEGYQDVCITYKL-JEDRZNSQSA-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
Clinical Information about the Compound