General Information of the Compound
| Compound ID |
CP0360224
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| Compound Name |
3-(5-{[(3Z)-5-(carbamoylamino)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]methyl}-1H-pyrrol-3-yl)benzoic acid
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| Structure |
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| Formula |
C21H16N4O4
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| Molecular Weight |
388.383
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| Canonical SMILES |
NC(=O)Nc1ccc2NC(=O)\C(=C/c3cc(c[nH]3)-c3cccc(c3)C(O)=O)c2c1
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| InChI |
InChI=1S/C21H16N4O4/c22-21(29)24-14-4-5-18-16(8-14)17(19(26)25-18)9-15-7-13(10-23-15)11-2-1-3-12(6-11)20(27)28/h1-10,23H,(H,25,26)(H,27,28)(H3,22,24,29)/b17-9-
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| InChIKey |
YIUCWIKVMNKNTC-MFOYZWKCSA-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