General Information of the Compound
| Compound ID |
CP0902845
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| Compound Name |
(2S)-2-((2S)-2-((2S)-1-((6S,12S,15S)-6-acetamido-1,19-diamino-12-(carboxymethyl)-9-ethyl-1-imino-7,10,13-trioxo-2,8,11,14-tetraazanonadecanecarbonyl)pyrrolidine-2-carboxamido)propanamido)-5-guanidinopentanoic acid
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| Structure |
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| Formula |
C36H64N14O11
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| Molecular Weight |
868.995
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| Canonical SMILES |
CC[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(C)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O
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| InChI |
InChI=1S/C36H64N14O11/c1-4-21(46-30(56)22(45-20(3)51)11-7-15-42-35(38)39)29(55)49-25(18-27(52)53)31(57)47-23(10-5-6-14-37)33(59)50-17-9-13-26(50)32(58)44-19(2)28(54)48-24(34(60)61)12-8-16-43-36(40)41/h19,21-26H,4-18,37H2,1-3H3,(H,44,58)(H,45,51)(H,46,56)(H,47,57)(H,48,54)(H,49,55)(H,52,53)(H,60,61)(H4,38,39,42)(H4,40,41,43)/t19-,21-,22-,23-,24-,25-,26-/m0/s1
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| InChIKey |
ULJBDHLPFZDXHB-GBUUIWMSSA-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