General Information of the Compound
| Compound ID |
CP0731117
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| Compound Name |
(S)-3-chloro-7-(6-fluoropyridin-2-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(-c3cccc(F)n3)ccc1Oc1cnc(Cl)cc12
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| InChI |
InChI=1S/C19H12ClFN4O2/c20-16-7-12-15(8-23-16)27-14-5-4-10(13-2-1-3-17(21)24-13)6-11(14)19(12)9-26-18(22)25-19/h1-8H,9H2,(H2,22,25)/t19-/m0/s1
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| InChIKey |
SUYBBWXWPDMGDN-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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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