General Information of the Compound
| Compound ID |
CP0306600
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| Compound Name |
1-[4-[7-(2-fluoro-6-hydroxyphenyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one
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| Structure |
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| Formula |
C20H22FN5O2
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| Molecular Weight |
383.427
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| Canonical SMILES |
Oc1cccc(F)c1N1CCc2c(C1)ncnc2N1CCN(CC1)C(=O)C=C
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| InChI |
InChI=1S/C20H22FN5O2/c1-2-18(28)24-8-10-25(11-9-24)20-14-6-7-26(12-16(14)22-13-23-20)19-15(21)4-3-5-17(19)27/h2-5,13,27H,1,6-12H2
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| InChIKey |
QQDZUWAWAYTSOU-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