General Information of the Compound
| Compound ID |
CP0547020
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| Compound Name |
[8-[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-1-yl]methanol
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| Structure |
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| Formula |
C32H35FN6O2
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| Molecular Weight |
554.67
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| Canonical SMILES |
OCc1cccc2cccc(-c3ncc4c(nc(OCC56CCCN5CCC6)nc4c3F)N3C[C@@H]4CC[C@H](C3)N4)c12
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| InChI |
InChI=1S/C32H35FN6O2/c33-27-28(24-8-2-6-20-5-1-7-21(18-40)26(20)24)34-15-25-29(27)36-31(41-19-32-11-3-13-39(32)14-4-12-32)37-30(25)38-16-22-9-10-23(17-38)35-22/h1-2,5-8,15,22-23,35,40H,3-4,9-14,16-19H2/t22-,23+
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| InChIKey |
SXCRDIFBRNNYTI-ZRZAMGCNSA-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