General Information of the Compound
| Compound ID |
CP0473791
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| Compound Name |
N-[2-[2-[(3,4-dichlorophenyl)methylamino]-6-(4-methoxyphenyl)-7-oxopteridin-8-yl]ethyl]benzamide
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| Structure |
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| Formula |
C29H24Cl2N6O3
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| Molecular Weight |
575.456
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| Canonical SMILES |
COc1ccc(cc1)-c1nc2cnc(NCc3ccc(Cl)c(Cl)c3)nc2n(CCNC(=O)c2ccccc2)c1=O
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| InChI |
InChI=1S/C29H24Cl2N6O3/c1-40-21-10-8-19(9-11-21)25-28(39)37(14-13-32-27(38)20-5-3-2-4-6-20)26-24(35-25)17-34-29(36-26)33-16-18-7-12-22(30)23(31)15-18/h2-12,15,17H,13-14,16H2,1H3,(H,32,38)(H,33,34,36)
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| InChIKey |
FNMVURAZAGPKOI-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