General Information of the Compound
| Compound ID |
CP0918776
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| Compound Name |
Glu-Thr-Pro-Asp-Cys-Phe-Ala-Lys-Tyr-Cys-Val
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| Structure |
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| Formula |
C56H82N12O18S2
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| Molecular Weight |
1275.472
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| Canonical SMILES |
CC(C)[C@H](NC(=O)[C@H](CS)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)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/C56H82N12O18S2/c1-28(2)44(56(85)86)66-53(82)40(27-88)65-50(79)37(24-32-15-17-33(70)18-16-32)61-48(77)35(13-8-9-21-57)60-46(75)29(3)59-49(78)36(23-31-11-6-5-7-12-31)62-52(81)39(26-87)64-51(80)38(25-43(73)74)63-54(83)41-14-10-22-68(41)55(84)45(30(4)69)67-47(76)34(58)19-20-42(71)72/h5-7,11-12,15-18,28-30,34-41,44-45,69-70,87-88H,8-10,13-14,19-27,57-58H2,1-4H3,(H,59,78)(H,60,75)(H,61,77)(H,62,81)(H,63,83)(H,64,80)(H,65,79)(H,66,82)(H,67,76)(H,71,72)(H,73,74)(H,85,86)/t29-,30+,34-,35-,36-,37-,38-,39-,40-,41+,44-,45-/m0/s1
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| InChIKey |
BJAMTZMHRMORTN-JPXPHVNZSA-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