General Information of the Compound
| Compound ID |
CP0052034
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| Compound Name |
US9321748, 12
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| Structure |
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| Formula |
C21H26N6O
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| Molecular Weight |
378.48
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| Canonical SMILES |
CC(C)n1cc(nn1)-c1cc(cnc1N)-c1ccc(CN2CCOCC2)cc1
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| InChI |
InChI=1S/C21H26N6O/c1-15(2)27-14-20(24-25-27)19-11-18(12-23-21(19)22)17-5-3-16(4-6-17)13-26-7-9-28-10-8-26/h3-6,11-12,14-15H,7-10,13H2,1-2H3,(H2,22,23)
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| InChIKey |
CFVWLNQPGCBNKV-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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