General Information of the Compound
| Compound ID |
CP0304519
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| Compound Name |
[5-[[3-[[6-(3,3-dimethylbutylamino)pyrimidin-4-yl]amino]pyrrolidin-1-yl]methyl]furan-2-yl]methanol
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| Structure |
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| Formula |
C20H31N5O2
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| Molecular Weight |
373.501
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| Canonical SMILES |
CC(C)(C)CCNc1cc(NC2CCN(Cc3ccc(CO)o3)C2)ncn1
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| InChI |
InChI=1S/C20H31N5O2/c1-20(2,3)7-8-21-18-10-19(23-14-22-18)24-15-6-9-25(11-15)12-16-4-5-17(13-26)27-16/h4-5,10,14-15,26H,6-9,11-13H2,1-3H3,(H2,21,22,23,24)
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| InChIKey |
OJSZEXPISQGVRD-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