General Information of the Compound
| Compound ID |
CP0426117
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| Compound Name |
CHEMBL4449235
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| Formula |
C19H23N5O2
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| Molecular Weight |
353.426
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| Canonical SMILES |
Cc1ccccc1Nc1ncc2n(C)c(=O)n([C@H]3CC[C@H](O)CC3)c2n1
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| InChI |
InChI=1S/C19H23N5O2/c1-12-5-3-4-6-15(12)21-18-20-11-16-17(22-18)24(19(26)23(16)2)13-7-9-14(25)10-8-13/h3-6,11,13-14,25H,7-10H2,1-2H3,(H,20,21,22)/t13-,14-
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| InChIKey |
QAYIZDNHPZUXGB-HDJSIYSDSA-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