General Information of the Compound
| Compound ID |
CP0572595
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| Compound Name |
8-[[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-8-fluoro-7-(3-hydroxynaphthalen-1-yl)pyrido[4,3-d]pyrimidin-2-yl]oxymethyl]-2,5,6,7-tetrahydro-1H-pyrrolizin-3-one
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| Structure |
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| Formula |
C31H31FN6O3
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| Molecular Weight |
554.626
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| Canonical SMILES |
Oc1cc(-c2ncc3c(nc(OCC45CCCN4C(=O)CC5)nc3c2F)N2CC3CCC(C2)N3)c2ccccc2c1
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| InChI |
InChI=1S/C31H31FN6O3/c32-26-27(23-13-21(39)12-18-4-1-2-5-22(18)23)33-14-24-28(26)35-30(36-29(24)37-15-19-6-7-20(16-37)34-19)41-17-31-9-3-11-38(31)25(40)8-10-31/h1-2,4-5,12-14,19-20,34,39H,3,6-11,15-17H2
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| InChIKey |
FTWYJYVSHVAPGY-UHFFFAOYSA-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