General Information of the Compound
| Compound ID |
CP0492988
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| Compound Name |
Asp-Cys-Phe-Trp-Lys-Tyr-Cys-Val
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| Structure |
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| Formula |
C50H66N10O12S2
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| Molecular Weight |
1063.27
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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](N)CC(O)=O)C(O)=O
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| InChI |
InChI=1S/C50H66N10O12S2/c1-27(2)42(50(71)72)60-49(70)40(26-74)59-46(67)37(21-29-15-17-31(61)18-16-29)55-44(65)35(14-8-9-19-51)54-47(68)38(22-30-24-53-34-13-7-6-12-32(30)34)57-45(66)36(20-28-10-4-3-5-11-28)56-48(69)39(25-73)58-43(64)33(52)23-41(62)63/h3-7,10-13,15-18,24,27,33,35-40,42,53,61,73-74H,8-9,14,19-23,25-26,51-52H2,1-2H3,(H,54,68)(H,55,65)(H,56,69)(H,57,66)(H,58,64)(H,59,67)(H,60,70)(H,62,63)(H,71,72)/t33-,35-,36-,37-,38-,39-,40-,42-/m0/s1
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| InChIKey |
OQZDXQFQHJIOEY-LOWSNRHLSA-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