General Information of the Compound
| Compound ID |
CP0269196
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| Compound Name |
Asp-Thr-Trp-Val-Gly-Leu-Nle-NH2
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| Structure |
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| Formula |
C39H61N9O10
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| Molecular Weight |
815.97
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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](Cc1c[nH]c2ccccc12)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/C39H61N9O10/c1-19(2)12-13-27(34(41)53)45-36(55)28(14-20(3)4)44-30(50)18-43-38(57)32(21(5)6)47-37(56)29(15-23-17-42-26-11-9-8-10-24(23)26)46-39(58)33(22(7)49)48-35(54)25(40)16-31(51)52/h8-11,17,19-22,25,27-29,32-33,42,49H,12-16,18,40H2,1-7H3,(H2,41,53)(H,43,57)(H,44,50)(H,45,55)(H,46,58)(H,47,56)(H,48,54)(H,51,52)/t22-,25+,27+,28+,29+,32+,33+/m1/s1
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| InChIKey |
BYUHQCHCIBRILN-MGHFTIBRSA-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