General Information of the Compound
| Compound ID |
CP0470475
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| Compound Name |
3-(5-((5-chloro-2-oxoindolin-3-ylidene)methyl)-4-methyl-1H-pyrrol-3-yl)propanoic acid
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| Structure |
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| Formula |
C17H15ClN2O3
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| Molecular Weight |
330.771
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| Canonical SMILES |
Cc1c(CCC(O)=O)c[nH]c1\C=C1/C(=O)Nc2ccc(Cl)cc12
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| InChI |
InChI=1S/C17H15ClN2O3/c1-9-10(2-5-16(21)22)8-19-15(9)7-13-12-6-11(18)3-4-14(12)20-17(13)23/h3-4,6-8,19H,2,5H2,1H3,(H,20,23)(H,21,22)/b13-7-
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| InChIKey |
SQISXLYGNHYPKD-QPEQYQDCSA-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