General Information of the Compound
| Compound ID |
CP0344513
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| Compound Name |
CHEMBL1257177
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| Formula |
C19H22N6O3
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| Molecular Weight |
382.424
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| Canonical SMILES |
COc1ccc(cn1)-c1nc2c(C)nc(N)nc2n([C@H]2CC[C@H](O)CC2)c1=O
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| InChI |
InChI=1S/C19H22N6O3/c1-10-15-17(24-19(20)22-10)25(12-4-6-13(26)7-5-12)18(27)16(23-15)11-3-8-14(28-2)21-9-11/h3,8-9,12-13,26H,4-7H2,1-2H3,(H2,20,22,24)/t12-,13-
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| InChIKey |
FICWXAPOGIEJJR-JOCQHMNTSA-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