General Information of the Compound
| Compound ID |
CP0046280
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| Compound Name |
1-amino-5-(5-hydroxy-2-methylphenyl)-7,8,9,10-tetrahydropyrimido[4,5-c]isoquinolin-6-one
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| Structure |
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| Formula |
C18H18N4O2
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| Molecular Weight |
322.368
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| Canonical SMILES |
Cc1ccc(O)cc1-n1c2ncnc(N)c2c2CCCCc2c1=O
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| InChI |
InChI=1S/C18H18N4O2/c1-10-6-7-11(23)8-14(10)22-17-15(16(19)20-9-21-17)12-4-2-3-5-13(12)18(22)24/h6-9,23H,2-5H2,1H3,(H2,19,20,21)
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| InChIKey |
ZQQZSFIPDUAFMC-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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