General Information of the Compound
| Compound ID |
CP0923127
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| Compound Name |
1-(4-{1-[1-(2-carboxy tertbutyl aminoethylcarbamoyl)ethylcarbamoyl]ethylcarbamoyl}phenylsulfonyloxy)-4-[2-nitro-(E)-1-ethenyl]benzene
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| Structure |
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| Formula |
C28H35N5O10S
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| Molecular Weight |
633.68
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| Canonical SMILES |
C[C@@H](NC(=O)c1ccc(S(=O)(=O)Oc2ccc(/C=C/[N+](=O)[O-])cc2)cc1)C(=O)N[C@H](C)C(=O)NCCNC(=O)OC(C)(C)C
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| InChI |
InChI=1S/C28H35N5O10S/c1-18(24(34)29-15-16-30-27(37)42-28(3,4)5)31-25(35)19(2)32-26(36)21-8-12-23(13-9-21)44(40,41)43-22-10-6-20(7-11-22)14-17-33(38)39/h6-14,17-19H,15-16H2,1-5H3,(H,29,34)(H,30,37)(H,31,35)(H,32,36)/b17-14+/t18-,19-/m1/s1
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| InChIKey |
IYGFMPNIWKLXDR-BOVXVXHCSA-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