General Information of the Compound
| Compound ID |
CP0007251
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| Compound Name |
MLS000673919
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| Structure |
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| Formula |
C21H22N2O3
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| Molecular Weight |
350.418
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| Canonical SMILES |
COc1ccc(cc1)C(NC(=O)C(C)C)c1ccc2cccnc2c1O
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| InChI |
InChI=1S/C21H22N2O3/c1-13(2)21(25)23-18(15-6-9-16(26-3)10-7-15)17-11-8-14-5-4-12-22-19(14)20(17)24/h4-13,18,24H,1-3H3,(H,23,25)
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| InChIKey |
RVEFWDFDCPPOIN-UHFFFAOYSA-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
Protein ID: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06172, Mothers against decapentaplegic homolog 3