General Information of the Compound
| Compound ID |
CP0391028
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| Compound Name |
Ac-Phe-Orn-Pro-hle-Pff-Phe-NH2
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| Structure |
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| Formula |
C46H61FN8O7
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| Molecular Weight |
857.041
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| Canonical SMILES |
CC(C)CC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN)NC(=O)[C@H](Cc1ccccc1)NC(C)=O)C(=O)N[C@H](Cc1ccc(F)cc1)C(=O)N[C@H](Cc1ccccc1)C(N)=O
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| InChI |
InChI=1S/C46H61FN8O7/c1-29(2)18-23-35(42(58)54-39(28-33-19-21-34(47)22-20-33)44(60)53-37(41(49)57)26-31-12-6-4-7-13-31)51-45(61)40-17-11-25-55(40)46(62)36(16-10-24-48)52-43(59)38(50-30(3)56)27-32-14-8-5-9-15-32/h4-9,12-15,19-22,29,35-40H,10-11,16-18,23-28,48H2,1-3H3,(H2,49,57)(H,50,56)(H,51,61)(H,52,59)(H,53,60)(H,54,58)/t35-,36-,37+,38-,39+,40-/m0/s1
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| InChIKey |
KRDKDSRLZLNRCH-WKHHVPBCSA-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