General Information of the Compound
| Compound ID |
CP0082113
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| Compound Name |
Indolinone based compound, 7k
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| Structure |
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| Formula |
C22H19N5O3
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| Molecular Weight |
401.426
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| Canonical SMILES |
CC(=O)Nc1cccc(c1)-c1c[nH]c(\C=C2/C(=O)Nc3ccc(NC(N)=O)cc23)c1
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| InChI |
InChI=1S/C22H19N5O3/c1-12(28)25-15-4-2-3-13(7-15)14-8-17(24-11-14)10-19-18-9-16(26-22(23)30)5-6-20(18)27-21(19)29/h2-11,24H,1H3,(H,25,28)(H,27,29)(H3,23,26,30)/b19-10-
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| InChIKey |
LELXPYUUIHYFLJ-GRSHGNNSSA-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