General Information of the Compound
| Compound ID |
CP0572830
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| Compound Name |
(3S,6S,12S,17Z,20S,23S)-12-amino-3-butyl-15-(2-nitrophenyl)sulfonyl-2,5,11,22-tetraoxo-1,4,10,15,21-pentazatricyclo[21.3.0.06,10]hexacos-17-ene-20-carboxylic acid
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| Structure |
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| Formula |
C32H45N7O10S
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| Molecular Weight |
719.818
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| Canonical SMILES |
CCCC[C@@H]1NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)CCN(C\C=C/C[C@H](NC(=O)[C@@H]2CCCN2C1=O)C(O)=O)S(=O)(=O)c1ccccc1[N+]([O-])=O
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| InChI |
InChI=1S/C32H45N7O10S/c1-2-3-10-22-31(43)38-19-9-14-26(38)29(41)35-23(32(44)45)11-6-7-17-36(50(48,49)27-15-5-4-12-24(27)39(46)47)20-16-21(33)30(42)37-18-8-13-25(37)28(40)34-22/h4-7,12,15,21-23,25-26H,2-3,8-11,13-14,16-20,33H2,1H3,(H,34,40)(H,35,41)(H,44,45)/b7-6-/t21-,22-,23-,25-,26-/m0/s1
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| InChIKey |
TYTQFDIMDSJOOT-HMPBUWNMSA-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