General Information of the Compound
| Compound ID |
CP0670144
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| Compound Name |
(S)-7-(5-(cyclopropylethynyl)pyridin-3-yl)-3-(3,6-dihydro-2H-pyran-4-yl)-5'H-spiro[chromeno[2,3-c]pyridine-5,4'-oxazol]-2'-amine
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| Structure |
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| Formula |
C29H24N4O3
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| Molecular Weight |
476.536
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| Canonical SMILES |
NC1=N[C@@]2(CO1)c1cc(-c3cncc(C#CC4CC4)c3)ccc1Oc1cnc(C3=CCOCC3)cc12
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| InChI |
InChI=1S/C29H24N4O3/c30-28-33-29(17-35-28)23-12-21(22-11-19(14-31-15-22)4-3-18-1-2-18)5-6-26(23)36-27-16-32-25(13-24(27)29)20-7-9-34-10-8-20/h5-7,11-16,18H,1-2,8-10,17H2,(H2,30,33)/t29-/m0/s1
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| InChIKey |
VTKAPBZSHLAGJS-LJAQVGFWSA-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