General Information of the Compound
| Compound ID |
CP0566169
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| Compound Name |
2-[(2S,5S,8S,11S,14S)-2,8-bis(4-aminobutyl)-11-[3-(diaminomethylideneamino)propyl]-14-(2,2-dimethylpropyl)-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 |
C32H59N11O8
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| Molecular Weight |
725.893
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| Canonical SMILES |
CC(C)(C)C[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)CCNC1=O
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| InChI |
InChI=1S/C32H59N11O8/c1-32(2,3)18-23-26(47)37-16-12-24(44)39-19(9-4-6-13-33)27(48)42-22(17-25(45)46)30(51)41-20(10-5-7-14-34)28(49)40-21(29(50)43-23)11-8-15-38-31(35)36/h19-23H,4-18,33-34H2,1-3H3,(H,37,47)(H,39,44)(H,40,49)(H,41,51)(H,42,48)(H,43,50)(H,45,46)(H4,35,36,38)/t19-,20-,21-,22-,23-/m0/s1
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| InChIKey |
ZRAKGVUCYNKDSS-VUBDRERZSA-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