General Information of the Compound
| Compound ID |
CP0545185
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| Compound Name |
4-[4-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-8-fluoro-2-[2-[(1S,4S)-2-oxa-5-azabicyclo[2.2.1]heptan-5-yl]ethoxy]pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol
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| Structure |
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| Formula |
C30H31FN6O3
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| Molecular Weight |
542.615
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| Canonical SMILES |
Oc1cc(-c2ncc3c(nc(OCCN4C[C@@H]5C[C@H]4CO5)nc3c2F)N2C[C@@H]3CC[C@H](C2)N3)c2ccccc2c1
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| InChI |
InChI=1S/C30H31FN6O3/c31-26-27(24-11-21(38)9-17-3-1-2-4-23(17)24)32-12-25-28(26)34-30(39-8-7-36-15-22-10-20(36)16-40-22)35-29(25)37-13-18-5-6-19(14-37)33-18/h1-4,9,11-12,18-20,22,33,38H,5-8,10,13-16H2/t18-,19+,20-,22-/m0/s1
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| InChIKey |
OQUSFGODZLOBKA-IIZPIQPGSA-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