General Information of the Compound
Compound ID |
CP0731119
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Compound Name |
(S)-3-chloro-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 |
C22H15ClN4O2
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Molecular Weight |
402.841
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Canonical SMILES |
CC#Cc1cncc(-c2ccc3c(c2)[C@@]2(COC(N)=N2)c2cc(Cl)ncc2O3)c1
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InChI |
InChI=1S/C22H15ClN4O2/c1-2-3-13-6-15(10-25-9-13)14-4-5-18-16(7-14)22(12-28-21(24)27-22)17-8-20(23)26-11-19(17)29-18/h4-11H,12H2,1H3,(H2,24,27)/t22-/m0/s1
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InChIKey |
KXPRSWMVVLRBHZ-QFIPXVFZSA-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