General Information of the Compound
| Compound ID |
CP0570250
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| Compound Name |
CHEMBL4864386
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| Formula |
C22H26N6O2
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| Molecular Weight |
406.49
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| Canonical SMILES |
CC(=O)N1CCN(CC1)[C@H]1C[C@H](C1)n1cc(-c2ccccc2O)c2c(N)ncnc12
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| InChI |
InChI=1S/C22H26N6O2/c1-14(29)26-6-8-27(9-7-26)15-10-16(11-15)28-12-18(17-4-2-3-5-19(17)30)20-21(23)24-13-25-22(20)28/h2-5,12-13,15-16,30H,6-11H2,1H3,(H2,23,24,25)/t15-,16+
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| InChIKey |
ISERFAGOSHEUAE-IYBDPMFKSA-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