General Information of the Compound
| Compound ID |
CP0320494
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| Compound Name |
(4S)-3'-fluoro-2'-[(3-methyloxetan-3-yl)methoxy]-7'-pyridin-3-ylspiro[5H-1,3-oxazole-4,9'-xanthene]-2-amine
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| Structure |
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| Formula |
C25H22FN3O4
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| Molecular Weight |
447.466
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| Canonical SMILES |
CC1(COc2cc3c(Oc4ccc(cc4[C@@]33COC(N)=N3)-c3cccnc3)cc2F)COC1
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| InChI |
InChI=1S/C25H22FN3O4/c1-24(11-30-12-24)13-31-22-8-18-21(9-19(22)26)33-20-5-4-15(16-3-2-6-28-10-16)7-17(20)25(18)14-32-23(27)29-25/h2-10H,11-14H2,1H3,(H2,27,29)/t25-/m0/s1
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| InChIKey |
QZKJVVRMYLAHNA-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