General Information of the Compound
| Compound ID |
CP0897008
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| Compound Name |
H-Ala-D-Trp-Ala-azaTyr-D-Phe-Lys-NH2
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| Structure |
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| Formula |
C40H52N10O7
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| Molecular Weight |
784.919
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| Canonical SMILES |
C[C@H](N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)NN(Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(N)=O
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| InChI |
InChI=1S/C40H52N10O7/c1-24(42)36(53)47-34(21-28-22-44-31-13-7-6-12-30(28)31)38(55)45-25(2)37(54)49-50(23-27-15-17-29(51)18-16-27)40(57)48-33(20-26-10-4-3-5-11-26)39(56)46-32(35(43)52)14-8-9-19-41/h3-7,10-13,15-18,22,24-25,32-34,44,51H,8-9,14,19-21,23,41-42H2,1-2H3,(H2,43,52)(H,45,55)(H,46,56)(H,47,53)(H,48,57)(H,49,54)/t24-,25-,32-,33+,34+/m0/s1
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| InChIKey |
XSSNNXKGQZMSRF-KSUJVURRSA-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