General Information of the Compound
| Compound ID |
CP0383345
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| Compound Name |
2-[3-[(2S,5R,8R,14S)-5-[3-(diaminomethylideneamino)propyl]-8-methyl-14-(naphthalen-2-ylmethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]propyl]guanidine
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| Synonyms |
CHEMBL373440
Cyclo(-D-Ala-D-Arg-L-Arg-L-Nal-Gly-)
cyclo(-D-Ala-D-Arg-L-Arg-L-Nal-Gly-)
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| Structure |
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| Formula |
C30H43N11O5
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| Molecular Weight |
637.746
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| Canonical SMILES |
C[C@H]1NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CNC1=O
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| InChI |
InChI=1S/C30H43N11O5/c1-17-25(43)37-16-24(42)39-23(15-18-10-11-19-6-2-3-7-20(19)14-18)28(46)41-22(9-5-13-36-30(33)34)27(45)40-21(26(44)38-17)8-4-12-35-29(31)32/h2-3,6-7,10-11,14,17,21-23H,4-5,8-9,12-13,15-16H2,1H3,(H,37,43)(H,38,44)(H,39,42)(H,40,45)(H,41,46)(H4,31,32,35)(H4,33,34,36)/t17-,21-,22+,23+/m1/s1
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| InChIKey |
SSVKJORMBVSSPN-DZWOVHDNSA-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