General Information of the Compound
| Compound ID |
CP0088991
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| Compound Name |
(4S)-3'-(4,4-difluoropiperidin-1-yl)-1'-fluoro-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 |
C24H19F4N5O2
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| Molecular Weight |
485.441
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| Canonical SMILES |
NC1=N[C@@]2(CO1)c1cc(ccc1Oc1c(F)nc(cc21)N1CCC(F)(F)CC1)-c1cccnc1F
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| InChI |
InChI=1S/C24H19F4N5O2/c25-20-14(2-1-7-30-20)13-3-4-17-15(10-13)24(12-34-22(29)32-24)16-11-18(31-21(26)19(16)35-17)33-8-5-23(27,28)6-9-33/h1-4,7,10-11H,5-6,8-9,12H2,(H2,29,32)/t24-/m0/s1
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| InChIKey |
XOMCGKPPVIBCNC-DEOSSOPVSA-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