General Information of the Compound
| Compound ID |
CP0705356
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| Compound Name |
(S)-3-(3,6-dihydro-2H-pyran-4-yl)-7-(5-((3-methyloxetan-3-yl)ethynyl)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 |
C30H26N4O4
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| Molecular Weight |
506.562
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| Canonical SMILES |
CC1(C#Cc2cncc(-c3ccc4c(c3)[C@@]3(COC(N)=N3)c3cc(C5=CCOCC5)ncc3O4)c2)COC1
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| InChI |
InChI=1S/C30H26N4O4/c1-29(16-36-17-29)7-4-19-10-22(14-32-13-19)21-2-3-26-23(11-21)30(18-37-28(31)34-30)24-12-25(33-15-27(24)38-26)20-5-8-35-9-6-20/h2-3,5,10-15H,6,8-9,16-18H2,1H3,(H2,31,34)/t30-/m0/s1
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| InChIKey |
XHUYEPYYGCRCQO-PMERELPUSA-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