General Information of the Compound
| Compound ID |
CP0560168
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| Compound Name |
2-[3-[(2S,5S,8R,14S)-5-[3-(diaminomethylideneamino)propyl]-8-[(4-hydroxyphenyl)methyl]-10,14-dimethyl-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]propyl]guanidine
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| Synonyms |
CHEMBL219075
Cyclo(-D-Tyr-L-Arg-L-Arg-L-Ala-Sar-)
cyclo(-D-Tyr-L-Arg-L-Arg-L-Ala-Sar-)
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| Structure |
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| Formula |
C27H43N11O6
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| Molecular Weight |
617.712
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| Canonical SMILES |
C[C@@H]1NC(=O)CN(C)C(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC1=O
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| InChI |
InChI=1S/C27H43N11O6/c1-15-22(41)35-18(5-3-11-32-26(28)29)23(42)36-19(6-4-12-33-27(30)31)24(43)37-20(13-16-7-9-17(39)10-8-16)25(44)38(2)14-21(40)34-15/h7-10,15,18-20,39H,3-6,11-14H2,1-2H3,(H,34,40)(H,35,41)(H,36,42)(H,37,43)(H4,28,29,32)(H4,30,31,33)/t15-,18-,19-,20+/m0/s1
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| InChIKey |
DUPFTLXKUNVZDO-MVJPYGJCSA-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
Clinical Information about the Compound