General Information of the Compound
| Compound ID |
CP0507771
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| Compound Name |
2-[1-(4-{4-[2-nitro-(E)-1-ethenyl]phenyloxysulfonyl}phenylcarboxamido)-(1R)-ethylcarboxamido]-(2R)-propanoic acid
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| Structure |
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| Formula |
C21H21N3O9S
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| Molecular Weight |
491.478
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| Canonical SMILES |
C[C@@H](NC(=O)[C@@H](C)NC(=O)c1ccc(cc1)S(=O)(=O)Oc1ccc(\C=C\[N+]([O-])=O)cc1)C(O)=O
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| InChI |
InChI=1S/C21H21N3O9S/c1-13(19(25)23-14(2)21(27)28)22-20(26)16-5-9-18(10-6-16)34(31,32)33-17-7-3-15(4-8-17)11-12-24(29)30/h3-14H,1-2H3,(H,22,26)(H,23,25)(H,27,28)/b12-11+/t13-,14-/m1/s1
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| InChIKey |
FUJQYXNKCSRFSS-MRUDHYOASA-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