General Information of the Compound
| Compound ID |
CP0412560
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| Compound Name |
3-(2-(3,4-dichlorobenzylamino)-6-(4-methoxyphenyl)-7-oxopteridin-8(7H)-yl)propanamide
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| Structure |
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| Formula |
C23H20Cl2N6O3
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| Molecular Weight |
499.358
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| Canonical SMILES |
COc1ccc(cc1)-c1nc2cnc(NCc3ccc(Cl)c(Cl)c3)nc2n(CCC(N)=O)c1=O
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| InChI |
InChI=1S/C23H20Cl2N6O3/c1-34-15-5-3-14(4-6-15)20-22(33)31(9-8-19(26)32)21-18(29-20)12-28-23(30-21)27-11-13-2-7-16(24)17(25)10-13/h2-7,10,12H,8-9,11H2,1H3,(H2,26,32)(H,27,28,30)
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| InChIKey |
XRXZSGOXODFAMO-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