General Information of the Compound
| Compound ID |
CP0857986
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| Compound Name |
Ala-Thr-Pro-Asp-Cys-Phe-Trp-Lys-Tyr-Cys-Val
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| Structure |
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| Formula |
C62H85N13O16S2
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| Molecular Weight |
1332.571
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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](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](C)N)[C@@H](C)O)C(=O)O
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| InChI |
InChI=1S/C62H85N13O16S2/c1-32(2)50(62(90)91)73-59(87)47(31-93)72-55(83)43(26-36-19-21-38(77)22-20-36)67-53(81)41(17-10-11-23-63)66-56(84)44(27-37-29-65-40-16-9-8-15-39(37)40)69-54(82)42(25-35-13-6-5-7-14-35)68-58(86)46(30-92)71-57(85)45(28-49(78)79)70-60(88)48-18-12-24-75(48)61(89)51(34(4)76)74-52(80)33(3)64/h5-9,13-16,19-22,29,32-34,41-48,50-51,65,76-77,92-93H,10-12,17-18,23-28,30-31,63-64H2,1-4H3,(H,66,84)(H,67,81)(H,68,86)(H,69,82)(H,70,88)(H,71,85)(H,72,83)(H,73,87)(H,74,80)(H,78,79)(H,90,91)/t33-,34+,41-,42-,43-,44-,45-,46-,47-,48+,50-,51-/m0/s1
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| InChIKey |
BGWFEWBKHYFDMS-PPSMDKIXSA-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