General Information of the Compound
| Compound ID |
CP0312072
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| Compound Name |
Ac-Trp-D-Pro-Asp-Phe-NH2
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| Structure |
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| Formula |
C31H36N6O7
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| Molecular Weight |
604.664
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| Canonical SMILES |
CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
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| InChI |
InChI=1S/C31H36N6O7/c1-18(38)34-25(15-20-17-33-22-11-6-5-10-21(20)22)31(44)37-13-7-12-26(37)30(43)36-24(16-27(39)40)29(42)35-23(28(32)41)14-19-8-3-2-4-9-19/h2-6,8-11,17,23-26,33H,7,12-16H2,1H3,(H2,32,41)(H,34,38)(H,35,42)(H,36,43)(H,39,40)/t23-,24-,25-,26-/m0/s1
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| InChIKey |
BWQNSMPVLDMOJV-CQJMVLFOSA-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