General Information of the Compound
| Compound ID |
CP0579155
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| Compound Name |
4-[4-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-[2-(dimethylamino)ethoxy]-8-fluoropyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol
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| Structure |
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| Formula |
C27H29FN6O2
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| Molecular Weight |
488.567
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| Canonical SMILES |
CN(C)CCOc1nc(N2C[C@@H]3CC[C@H](C2)N3)c2cnc(c(F)c2n1)-c1cc(O)cc2ccccc12
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| InChI |
InChI=1S/C27H29FN6O2/c1-33(2)9-10-36-27-31-25-22(26(32-27)34-14-17-7-8-18(15-34)30-17)13-29-24(23(25)28)21-12-19(35)11-16-5-3-4-6-20(16)21/h3-6,11-13,17-18,30,35H,7-10,14-15H2,1-2H3/t17-,18+
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| InChIKey |
WYSVPHDURSMZPT-HDICACEKSA-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