General Information of the Compound
| Compound ID |
CP0105115
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| Compound Name |
Asp-Thr-D-Phe-Val-Gly-Leu-Nle-NH2
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| Structure |
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| Formula |
C37H60N8O10
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| Molecular Weight |
776.933
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| Canonical SMILES |
CC(C)CC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)[C@@H](N)CC(O)=O)[C@@H](C)O)C(C)C)C(N)=O
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| InChI |
InChI=1S/C37H60N8O10/c1-19(2)13-14-25(32(39)50)42-34(52)26(15-20(3)4)41-28(47)18-40-36(54)30(21(5)6)44-35(53)27(16-23-11-9-8-10-12-23)43-37(55)31(22(7)46)45-33(51)24(38)17-29(48)49/h8-12,19-22,24-27,30-31,46H,13-18,38H2,1-7H3,(H2,39,50)(H,40,54)(H,41,47)(H,42,52)(H,43,55)(H,44,53)(H,45,51)(H,48,49)/t22-,24+,25+,26+,27+,30+,31+/m1/s1
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| InChIKey |
UQRUMRPDWSULKH-FTRSABFQSA-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