General Information of the Compound
| Compound ID |
CP0551380
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| Compound Name |
4-[(2S,5S,8S,11S,14S)-2-(4-aminobutyl)-5-(carboxymethyl)-11-[3-(diaminomethylideneamino)propyl]-14-(2-methylpropyl)-3,6,9,12,15,19-hexaoxo-1,4,7,10,13,16-hexazacyclononadec-8-yl]butyl-trimethylazanium
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| Structure |
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| Formula |
C34H64N11O8+
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| Molecular Weight |
754.955
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| Canonical SMILES |
CC(C)C[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCC[N+](C)(C)C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)CCNC1=O
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| InChI |
InChI=1S/C34H63N11O8/c1-21(2)19-25-29(49)38-17-14-27(46)40-22(11-6-8-15-35)30(50)44-26(20-28(47)48)33(53)42-23(12-7-9-18-45(3,4)5)31(51)41-24(32(52)43-25)13-10-16-39-34(36)37/h21-26H,6-20,35H2,1-5H3,(H10-,36,37,38,39,40,41,42,43,44,46,47,48,49,50,51,52,53)/p+1/t22-,23-,24-,25-,26-/m0/s1
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| InChIKey |
NLVPIQQFDMENHJ-LROMGURASA-O
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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