General Information of the Compound
| Compound ID |
CP0860888
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| Compound Name |
[Gly(But)7]OT
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| Synonyms |
CHEMBL234363
[Gly(But)7]OT
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| Structure |
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| Formula |
C44H70N12O12S2
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| Molecular Weight |
1023.25
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| Canonical SMILES |
CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@@H](C(=O)N[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C(C)(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O
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| InChI |
InChI=1S/C44H70N12O12S2/c1-8-22(4)34-42(67)50-26(13-14-31(46)58)38(63)52-29(17-32(47)59)39(64)54-30(20-70-69-19-25(45)36(61)51-28(40(65)55-34)16-23-9-11-24(57)12-10-23)41(66)56-35(44(5,6)7)43(68)53-27(15-21(2)3)37(62)49-18-33(48)60/h9-12,21-22,25-30,34-35,57H,8,13-20,45H2,1-7H3,(H2,46,58)(H2,47,59)(H2,48,60)(H,49,62)(H,50,67)(H,51,61)(H,52,63)(H,53,68)(H,54,64)(H,55,65)(H,56,66)/t22-,25-,26-,27-,28-,29-,30-,34-,35-/m0/s1
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| InChIKey |
ZQBKWQKQBINQEI-PJCZHVSHSA-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