General Information of the Compound
| Compound ID |
CP0156307
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| Compound Name |
CHEBI:2965
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| Synonyms |
136553-81-6
BQ 123
BQ-123
BQ123
CHEBI:2965
CHEMBL314691
Cyclo(D-trp-D-asp-L-pro-D-val-L-leu)
Cyclo(D-trp-D-asp-pro-D-val-leu)
Cyclo[D-trp-D-asp-L-pro-D-val-L-leu]
S2A8YZM151
UNII-S2A8YZM151
cyclo(-D-Trp-D-Asp-Pro-D-Val-Leu)
cyclo(D-Asp-L-Pro-D-Val-L-Leu-D-Trp)
cyclo(D-Asp-Pro-D-Val-Leu-D-Trp)
cyclo-(D-Asp-Pro-D-Val-Leu-D-Trp)
cyclo-[D-Asp-Pro-d-Val-Leu-d-Trp]
cyclo[(D)Trp-(D)Asp-Pro-(D)Val-Leu]
cyclo[D-Asp-L-Pro-D-Val-L-Leu-D-Trp]
cyclo[D-Trp-D-Asp-Pro-D-Val-Leu]
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| Structure |
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| Formula |
C31H42N6O7
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| Molecular Weight |
610.712
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| Canonical SMILES |
CC(C)C[C@@H]1NC(=O)[C@H](NC(=O)[C@@H]2CCCN2C(=O)[C@@H](CC(O)=O)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O)C(C)C
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| InChI |
InChI=1S/C31H42N6O7/c1-16(2)12-21-27(40)33-22(13-18-15-32-20-9-6-5-8-19(18)20)28(41)35-23(14-25(38)39)31(44)37-11-7-10-24(37)29(42)36-26(17(3)4)30(43)34-21/h5-6,8-9,15-17,21-24,26,32H,7,10-14H2,1-4H3,(H,33,40)(H,34,43)(H,35,41)(H,36,42)(H,38,39)/t21-,22+,23+,24-,26+/m0/s1
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| InChIKey |
VYCMAAOURFJIHD-PJNXIOHISA-N
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| CAS |
136553-81-6
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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