General Information of the Compound
| Compound ID |
CP0082116
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| Compound Name |
Indolinone based compound, 7g
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| Structure |
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| Formula |
C21H18N4O3
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| Molecular Weight |
374.4
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| Canonical SMILES |
COc1cccc(c1)-c1c[nH]c(\C=C2/C(=O)Nc3ccc(NC(N)=O)cc23)c1
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| InChI |
InChI=1S/C21H18N4O3/c1-28-16-4-2-3-12(8-16)13-7-15(23-11-13)10-18-17-9-14(24-21(22)27)5-6-19(17)25-20(18)26/h2-11,23H,1H3,(H,25,26)(H3,22,24,27)/b18-10-
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| InChIKey |
RULBQJYTXYLQOK-ZDLGFXPLSA-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