General Information of the Compound
| Compound ID |
CP0445909
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| Compound Name |
2-[(2S,5S,8S,11S,14S)-2-(4-aminobutyl)-8-(aminomethyl)-11-[3-(diaminomethylideneamino)propyl]-14-(2-methylpropyl)-3,6,9,12,15,19-hexaoxo-1,4,7,10,13,16-hexazacyclononadec-5-yl]acetic acid
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| Structure |
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| Formula |
C28H51N11O8
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| Molecular Weight |
669.785
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| Canonical SMILES |
CC(C)C[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)CCNC1=O
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| InChI |
InChI=1S/C28H51N11O8/c1-15(2)12-18-23(43)33-11-8-21(40)35-16(6-3-4-9-29)24(44)38-19(13-22(41)42)26(46)39-20(14-30)27(47)36-17(25(45)37-18)7-5-10-34-28(31)32/h15-20H,3-14,29-30H2,1-2H3,(H,33,43)(H,35,40)(H,36,47)(H,37,45)(H,38,44)(H,39,46)(H,41,42)(H4,31,32,34)/t16-,17-,18-,19-,20-/m0/s1
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| InChIKey |
ZYIRZDQGNRLPAY-HVTWWXFQSA-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