General Information of the Compound
| Compound ID |
CP0062066
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| Compound Name |
Indolinone based compound, 21
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| Structure |
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| Formula |
C18H19N5O4
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| Molecular Weight |
369.381
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| Canonical SMILES |
C\C(=C1\C(=O)Nc2ccc(NC(N)=O)cc12)c1cc(CNC(=O)CO)c[nH]1
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| InChI |
InChI=1S/C18H19N5O4/c1-9(14-4-10(6-20-14)7-21-15(25)8-24)16-12-5-11(22-18(19)27)2-3-13(12)23-17(16)26/h2-6,20,24H,7-8H2,1H3,(H,21,25)(H,23,26)(H3,19,22,27)/b16-9-
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| InChIKey |
UQSUHZYCCQIWGQ-SXGWCWSVSA-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