General Information of the Compound
| Compound ID |
CP0534851
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| Compound Name |
N-[3-[6-cyclohexyl-2-[3-(2-methoxyethoxy)anilino]-7-oxopteridin-8-yl]phenyl]prop-2-enamide
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| Structure |
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| Formula |
C30H32N6O4
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| Molecular Weight |
540.624
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| Canonical SMILES |
COCCOc1cccc(Nc2ncc3nc(C4CCCCC4)c(=O)n(-c4cccc(NC(=O)C=C)c4)c3n2)c1
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| InChI |
InChI=1S/C30H32N6O4/c1-3-26(37)32-21-11-7-13-23(17-21)36-28-25(34-27(29(36)38)20-9-5-4-6-10-20)19-31-30(35-28)33-22-12-8-14-24(18-22)40-16-15-39-2/h3,7-8,11-14,17-20H,1,4-6,9-10,15-16H2,2H3,(H,32,37)(H,31,33,35)
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| InChIKey |
SRHREEZCKYAMCG-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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