General Information of the Compound
| Compound ID |
CP0572593
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| Compound Name |
4-[4-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol
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| Structure |
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| Formula |
C31H33FN6O2
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| Molecular Weight |
540.643
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| Canonical SMILES |
Oc1cc(-c2ncc3c(nc(OCC45CCCN4CCC5)nc3c2F)N2C[C@@H]3CC[C@H](C2)N3)c2ccccc2c1
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| InChI |
InChI=1S/C31H33FN6O2/c32-26-27(24-14-22(39)13-19-5-1-2-6-23(19)24)33-15-25-28(26)35-30(40-18-31-9-3-11-38(31)12-4-10-31)36-29(25)37-16-20-7-8-21(17-37)34-20/h1-2,5-6,13-15,20-21,34,39H,3-4,7-12,16-18H2/t20-,21+
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| InChIKey |
SQAQCUBXVDHROC-OYRHEFFESA-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