General Information of the Compound
| Compound ID |
CP0889264
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| Compound Name |
Glu-Thr-Pro-Asp-Cys-Phe-Trp-Lys-Ala-Cys-Val
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| Structure |
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| Formula |
C58H83N13O17S2
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| Molecular Weight |
1298.51
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| Canonical SMILES |
CC(C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)O)[C@@H](C)O)C(=O)O
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| InChI |
InChI=1S/C58H83N13O17S2/c1-29(2)46(58(87)88)69-55(84)42(28-90)67-48(77)30(3)62-50(79)37(17-10-11-21-59)63-52(81)39(24-33-26-61-36-16-9-8-15-34(33)36)65-51(80)38(23-32-13-6-5-7-14-32)64-54(83)41(27-89)68-53(82)40(25-45(75)76)66-56(85)43-18-12-22-71(43)57(86)47(31(4)72)70-49(78)35(60)19-20-44(73)74/h5-9,13-16,26,29-31,35,37-43,46-47,61,72,89-90H,10-12,17-25,27-28,59-60H2,1-4H3,(H,62,79)(H,63,81)(H,64,83)(H,65,80)(H,66,85)(H,67,77)(H,68,82)(H,69,84)(H,70,78)(H,73,74)(H,75,76)(H,87,88)/t30-,31+,35-,37-,38-,39-,40-,41-,42-,43+,46-,47-/m0/s1
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| InChIKey |
QZWMKQLNJXYNKO-PBLGDWKSSA-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