General Information of the Compound
| Compound ID |
CP0559874
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| Compound Name |
CHEMBL4459057
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| Formula |
C19H23N5O3
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| Molecular Weight |
369.425
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| Canonical SMILES |
COc1ccc(Nc2ncc3[nH]c(=O)n([C@H]4CC[C@H](O)CC4)c3n2)c(C)c1
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| InChI |
InChI=1S/C19H23N5O3/c1-11-9-14(27-2)7-8-15(11)21-18-20-10-16-17(23-18)24(19(26)22-16)12-3-5-13(25)6-4-12/h7-10,12-13,25H,3-6H2,1-2H3,(H,22,26)(H,20,21,23)/t12-,13-
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| InChIKey |
GVHNVNPBKISOIO-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