General Information of the Compound
| Compound ID |
CP0579153
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| Compound Name |
4-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-7-(7-fluoronaphthalen-1-yl)-2-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethoxy)pyrido[4,3-d]pyrimidine
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| Structure |
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| Formula |
C31H32F2N6O
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| Molecular Weight |
542.634
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| Canonical SMILES |
Fc1ccc2cccc(-c3ncc4c(nc(OCC56CCCN5CCC6)nc4c3F)N3C[C@@H]4CC[C@H](C3)N4)c2c1
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| InChI |
InChI=1S/C31H32F2N6O/c32-20-7-6-19-4-1-5-23(24(19)14-20)27-26(33)28-25(15-34-27)29(38-16-21-8-9-22(17-38)35-21)37-30(36-28)40-18-31-10-2-12-39(31)13-3-11-31/h1,4-7,14-15,21-22,35H,2-3,8-13,16-18H2/t21-,22+
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| InChIKey |
PHFKTTXMDCFWQV-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