General Information of the Compound
| Compound ID |
CP0145368
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| Compound Name |
3-[2-[5-methyl-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]-6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl]-3-oxopropanenitrile
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| Structure |
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| Formula |
C25H26N6O3
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| Molecular Weight |
458.522
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| Canonical SMILES |
Cc1cnc(Nc2ccc(cc2)N2CCOCC2)nc1-c1cc2CN(CCc2o1)C(=O)CC#N
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| InChI |
InChI=1S/C25H26N6O3/c1-17-15-27-25(28-19-2-4-20(5-3-19)30-10-12-33-13-11-30)29-24(17)22-14-18-16-31(23(32)6-8-26)9-7-21(18)34-22/h2-5,14-15H,6-7,9-13,16H2,1H3,(H,27,28,29)
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| InChIKey |
QOEGOFYHVBZIQG-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