General Information of the Compound
| Compound ID |
CP0052507
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| Compound Name |
(4R)-7'-(2,2-dimethylpropoxy)-3'-pyrimidin-5-ylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-b]pyridine]-2-amine
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| Structure |
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| Formula |
C23H23N5O3
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| Molecular Weight |
417.469
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| Canonical SMILES |
CC(C)(C)COc1ccc2Oc3ncc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cncnc1
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| InChI |
InChI=1S/C23H23N5O3/c1-22(2,3)11-29-16-4-5-19-17(7-16)23(12-30-21(24)28-23)18-6-14(10-27-20(18)31-19)15-8-25-13-26-9-15/h4-10,13H,11-12H2,1-3H3,(H2,24,28)/t23-/m1/s1
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| InChIKey |
CFGIPEFZRVYXID-HSZRJFAPSA-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