General Information of the Compound
Compound ID |
CP0759579
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Compound Name |
(S)-3-chloro-7-(5-fluoropyridin-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 |
C19H12ClFN4O2
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Molecular Weight |
382.782
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Canonical SMILES |
NC1=N[C@@]2(CO1)c1cc(-c3cncc(F)c3)ccc1Oc1cnc(Cl)cc12
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InChI |
InChI=1S/C19H12ClFN4O2/c20-17-5-14-16(8-24-17)27-15-2-1-10(11-3-12(21)7-23-6-11)4-13(15)19(14)9-26-18(22)25-19/h1-8H,9H2,(H2,22,25)/t19-/m0/s1
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InChIKey |
PDVQPGWZOJGAII-IBGZPJMESA-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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