General Information of the Compound
| Compound ID |
CP0571949
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| Compound Name |
4-[4-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-[2-(1-methylimidazol-2-yl)ethoxy]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol
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| Structure |
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| Formula |
C29H28FN7O2
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| Molecular Weight |
525.588
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| Canonical SMILES |
Cn1ccnc1CCOc1nc(N2C[C@@H]3CC[C@H](C2)N3)c2cnc(c(F)c2n1)-c1cc(O)cc2ccccc12
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| InChI |
InChI=1S/C29H28FN7O2/c1-36-10-9-31-24(36)8-11-39-29-34-27-23(28(35-29)37-15-18-6-7-19(16-37)33-18)14-32-26(25(27)30)22-13-20(38)12-17-4-2-3-5-21(17)22/h2-5,9-10,12-14,18-19,33,38H,6-8,11,15-16H2,1H3/t18-,19+
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| InChIKey |
GMDCEYKQKRSCLT-KDURUIRLSA-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