General Information of the Compound
| Compound ID |
CP0570900
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| Compound Name |
2-[(2S,5S,8S,11S,14S,17R)-2,8-bis(4-aminobutyl)-11-[3-(diaminomethylideneamino)propyl]-17-(hydroxymethyl)-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 |
C32H59N11O9
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| Molecular Weight |
741.892
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| Canonical SMILES |
CC(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)C[C@H](CO)NC1=O
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| InChI |
InChI=1S/C32H59N11O9/c1-18(2)14-23-30(51)38-19(17-44)15-25(45)39-20(8-3-5-11-33)27(48)43-24(16-26(46)47)31(52)41-21(9-4-6-12-34)28(49)40-22(29(50)42-23)10-7-13-37-32(35)36/h18-24,44H,3-17,33-34H2,1-2H3,(H,38,51)(H,39,45)(H,40,49)(H,41,52)(H,42,50)(H,43,48)(H,46,47)(H4,35,36,37)/t19-,20+,21+,22+,23+,24+/m1/s1
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| InChIKey |
OBRREKIEIBFZAE-CKOZHMEPSA-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