General Information of the Compound
| Compound ID |
CP0504857
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| Compound Name |
Ac-His-Trp-Ala-Val-D-Ala-His-Leu-Met-NH2
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| Synonyms |
Ac-His-Trp-Ala-Val-D-Ala-His-Leu-Met-NH2
CHEMBL263873
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| Structure |
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| Formula |
C47H68N14O9S
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| Molecular Weight |
1005.217
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| Canonical SMILES |
CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)C(C)C)C(N)=O
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| InChI |
InChI=1S/C47H68N14O9S/c1-24(2)15-35(44(67)57-34(40(48)63)13-14-71-8)59-46(69)38(18-31-21-50-23-53-31)58-41(64)26(5)55-47(70)39(25(3)4)61-42(65)27(6)54-43(66)36(16-29-19-51-33-12-10-9-11-32(29)33)60-45(68)37(56-28(7)62)17-30-20-49-22-52-30/h9-12,19-27,34-39,51H,13-18H2,1-8H3,(H2,48,63)(H,49,52)(H,50,53)(H,54,66)(H,55,70)(H,56,62)(H,57,67)(H,58,64)(H,59,69)(H,60,68)(H,61,65)/t26-,27+,34+,35+,36+,37+,38+,39+/m1/s1
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| InChIKey |
FLMAIOAFTCGWGR-UGUXQERMSA-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
Clinical Information about the Compound