General Information of the Compound
| Compound ID |
CP0198626
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| Compound Name |
(4S)-2'-(2,2-dimethylpropoxy)-7'-pyridin-3-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine
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| Structure |
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| Formula |
C25H25N3O3
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| Molecular Weight |
415.493
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| Canonical SMILES |
CC(C)(C)COc1ccc2Oc3ccc(cc3[C@@]3(COC(N)=N3)c2c1)-c1cccnc1
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| InChI |
InChI=1S/C25H25N3O3/c1-24(2,3)14-29-18-7-9-22-20(12-18)25(15-30-23(26)28-25)19-11-16(6-8-21(19)31-22)17-5-4-10-27-13-17/h4-13H,14-15H2,1-3H3,(H2,26,28)/t25-/m0/s1
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| InChIKey |
CFYIXTOTEZGNDR-VWLOTQADSA-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