General Information of the Compound
| Compound ID |
CP0935656
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| Compound Name |
[L-Tic7]OT
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| Synonyms |
CHEMBL397407
[L-Tic7]OT
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| Structure |
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| Formula |
C48H68N12O12S2
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| Molecular Weight |
1069.278
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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)N2Cc3ccccc3C[C@H]2C(=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/C48H68N12O12S2/c1-5-25(4)40-47(71)54-31(14-15-37(50)62)43(67)56-34(19-38(51)63)44(68)58-35(23-74-73-22-30(49)41(65)55-33(45(69)59-40)17-26-10-12-29(61)13-11-26)48(72)60-21-28-9-7-6-8-27(28)18-36(60)46(70)57-32(16-24(2)3)42(66)53-20-39(52)64/h6-13,24-25,30-36,40,61H,5,14-23,49H2,1-4H3,(H2,50,62)(H2,51,63)(H2,52,64)(H,53,66)(H,54,71)(H,55,65)(H,56,67)(H,57,70)(H,58,68)(H,59,69)/t25-,30-,31-,32-,33-,34-,35-,36-,40-/m0/s1
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| InChIKey |
GJHLANNXTOQRKG-FGTHJCBLSA-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