General Information of the Compound
| Compound ID |
CP0190509
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| Compound Name |
(4S)-3'-(6,6-dimethyl-2,3-dihydropyran-4-yl)-7'-(2-fluoropyridin-3-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 |
C26H23FN4O3
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| Molecular Weight |
458.493
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| Canonical SMILES |
CC1(C)OCCC(=C1)c1cc2c(Oc3ccc(cc3[C@@]22COC(N)=N2)-c2cccnc2F)cn1
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| InChI |
InChI=1S/C26H23FN4O3/c1-25(2)12-16(7-9-33-25)20-11-19-22(13-30-20)34-21-6-5-15(17-4-3-8-29-23(17)27)10-18(21)26(19)14-32-24(28)31-26/h3-6,8,10-13H,7,9,14H2,1-2H3,(H2,28,31)/t26-/m0/s1
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| InChIKey |
CKJGKUPSYYISLV-SANMLTNESA-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