General Information of the Compound
| Compound ID |
CP0571952
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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-naphthalen-1-ylpyrido[4,3-d]pyrimidine
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| Structure |
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| Formula |
C31H33FN6O
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| Molecular Weight |
524.644
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| Canonical SMILES |
Fc1c(ncc2c(nc(OCC34CCCN3CCC4)nc12)N1C[C@@H]2CC[C@H](C1)N2)-c1cccc2ccccc12
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| InChI |
InChI=1S/C31H33FN6O/c32-26-27(24-9-3-7-20-6-1-2-8-23(20)24)33-16-25-28(26)35-30(39-19-31-12-4-14-38(31)15-5-13-31)36-29(25)37-17-21-10-11-22(18-37)34-21/h1-3,6-9,16,21-22,34H,4-5,10-15,17-19H2/t21-,22+
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| InChIKey |
OWUYPNQJQNVYRX-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