General Information of the Compound
| Compound ID |
CP0071777
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| Compound Name |
(4S)-7'-(2-fluoropyridin-3-yl)-3'-(2-methylpyridin-4-yl)spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine
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| Structure |
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| Formula |
C25H18FN5O2
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| Molecular Weight |
439.45
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| Canonical SMILES |
Cc1cc(ccn1)-c1cc2c(Oc3ccc(cc3[C@@]22COC(N)=N2)-c2cccnc2F)cn1
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| InChI |
InChI=1S/C25H18FN5O2/c1-14-9-16(6-8-28-14)20-11-19-22(12-30-20)33-21-5-4-15(17-3-2-7-29-23(17)26)10-18(21)25(19)13-32-24(27)31-25/h2-12H,13H2,1H3,(H2,27,31)/t25-/m0/s1
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| InChIKey |
DMYNPXQDQNLGFR-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