General Information of the Compound
| Compound ID |
CP0452456
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| Compound Name |
N-(5-tert-butyl-1H-pyrazol-3-yl)-5-(6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-4-yloxy)indole-1-carboxamide
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| Structure |
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| Formula |
C22H23N7O2
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| Molecular Weight |
417.473
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| Canonical SMILES |
CC(C)(C)c1cc(NC(=O)n2ccc3cc(Oc4ncnc5CNCc45)ccc23)n[nH]1
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| InChI |
InChI=1S/C22H23N7O2/c1-22(2,3)18-9-19(28-27-18)26-21(30)29-7-6-13-8-14(4-5-17(13)29)31-20-15-10-23-11-16(15)24-12-25-20/h4-9,12,23H,10-11H2,1-3H3,(H2,26,27,28,30)
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| InChIKey |
UOZNOQSGMACPCZ-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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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