General Information of the Compound
| Compound ID |
CP0762420
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| Compound Name |
(S)-3-(5,6-dihydro-2H-pyran-3-yl)-7-(5-(prop-1-ynyl)pyridin-3-yl)-5'H-spiro[chromeno[2,3-c]pyridine-5,4'-oxazol]-2'-amine
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| Structure |
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| Formula |
C27H22N4O3
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| Molecular Weight |
450.498
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| Canonical SMILES |
CC#Cc1cncc(-c2ccc3c(c2)[C@@]2(COC(N)=N2)c2cc(C4=CCCOC4)ncc2O3)c1
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| InChI |
InChI=1S/C27H22N4O3/c1-2-4-17-9-20(13-29-12-17)18-6-7-24-21(10-18)27(16-33-26(28)31-27)22-11-23(30-14-25(22)34-24)19-5-3-8-32-15-19/h5-7,9-14H,3,8,15-16H2,1H3,(H2,28,31)/t27-/m0/s1
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| InChIKey |
LVYOUIFPTQZVKI-MHZLTWQESA-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