General Information of the Compound
| Compound ID |
CP0579152
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| Compound Name |
4-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-(2,3,5,6,7,8-hexahydro-1H-indolizin-8a-ylmethoxy)pyrido[4,3-d]pyrimidin-7-yl]naphthalen-2-ol
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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 |
Oc1cc(-c2ncc3c(nc(OCC45CCCN4CCCC5)nc3c2F)N2CC3CCC(C2)N3)c2ccccc2c1
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| InChI |
InChI=1S/C32H35FN6O2/c33-27-28(25-15-23(40)14-20-6-1-2-7-24(20)25)34-16-26-29(27)36-31(37-30(26)38-17-21-8-9-22(18-38)35-21)41-19-32-10-3-4-12-39(32)13-5-11-32/h1-2,6-7,14-16,21-22,35,40H,3-5,8-13,17-19H2
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| InChIKey |
ZXLXXBNGGWBUJO-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