General Information of the Compound
| Compound ID |
CP0265598
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| Compound Name |
3-(1,3-dioxo-2-(4-(phenyldiazenyl)phenyl)isoindoline-5-carboxamido)benzoic acid
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| Formula |
C28H18N4O5
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| Molecular Weight |
490.475
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| Canonical SMILES |
OC(=O)c1cccc(NC(=O)c2ccc3C(=O)N(C(=O)c3c2)c2ccc(cc2)\N=N\c2ccccc2)c1
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| InChI |
InChI=1S/C28H18N4O5/c33-25(29-21-8-4-5-18(15-21)28(36)37)17-9-14-23-24(16-17)27(35)32(26(23)34)22-12-10-20(11-13-22)31-30-19-6-2-1-3-7-19/h1-16H,(H,29,33)(H,36,37)/b31-30+
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| InChIKey |
ZCTSXRRAYDSUNQ-NVQSTNCTSA-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