General Information of the Compound
| Compound ID |
CP0467588
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| Compound Name |
3-(2-(3,4-dichlorobenzylamino)-7-oxo-6-(pyridin-3-yl)pteridin-8(7H)-yl)propanamide
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| Structure |
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| Formula |
C21H17Cl2N7O2
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| Molecular Weight |
470.32
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| Canonical SMILES |
NC(=O)CCn1c2nc(NCc3ccc(Cl)c(Cl)c3)ncc2nc(-c2cccnc2)c1=O
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| InChI |
InChI=1S/C21H17Cl2N7O2/c22-14-4-3-12(8-15(14)23)9-26-21-27-11-16-19(29-21)30(7-5-17(24)31)20(32)18(28-16)13-2-1-6-25-10-13/h1-4,6,8,10-11H,5,7,9H2,(H2,24,31)(H,26,27,29)
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| InChIKey |
IXCKPZGMHUZWAH-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