General Information of the Compound
| Compound ID |
CP0543340
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| Compound Name |
4-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)-7-(8-methoxynaphthalen-1-yl)pyrido[4,3-d]pyrimidine
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| Structure |
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| Formula |
C32H35FN6O2
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| Molecular Weight |
554.67
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| Canonical SMILES |
COc1cccc2cccc(-c3ncc4c(nc(OCC56CCCN5CCC6)nc4c3F)N3C[C@@H]4CC[C@H](C3)N4)c12
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| InChI |
InChI=1S/C32H35FN6O2/c1-40-25-9-3-7-20-6-2-8-23(26(20)25)28-27(33)29-24(16-34-28)30(38-17-21-10-11-22(18-38)35-21)37-31(36-29)41-19-32-12-4-14-39(32)15-5-13-32/h2-3,6-9,16,21-22,35H,4-5,10-15,17-19H2,1H3/t21-,22+
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| InChIKey |
WSDRKOOUUZYYPU-SZPZYZBQSA-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