General Information of the Compound
| Compound ID |
CP0731118
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| Compound Name |
(S)-N-(2'-amino-3-(tetrahydro-2H-pyran-4-yl)-5'H-spiro[chromeno[2,3-c]pyridine-5,4'-oxazole]-7-yl)-5-chloropicolinamide
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| Structure |
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| Formula |
C25H22ClN5O4
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| Molecular Weight |
491.935
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| Canonical SMILES |
NC1=N[C@@]2(CO1)c1cc(NC(=O)c3ccc(Cl)cn3)ccc1Oc1cnc(C3CCOCC3)cc12
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| InChI |
InChI=1S/C25H22ClN5O4/c26-15-1-3-19(28-11-15)23(32)30-16-2-4-21-17(9-16)25(13-34-24(27)31-25)18-10-20(29-12-22(18)35-21)14-5-7-33-8-6-14/h1-4,9-12,14H,5-8,13H2,(H2,27,31)(H,30,32)/t25-/m0/s1
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| InChIKey |
YEJLNLKEIOPROS-VWLOTQADSA-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