General Information of the Compound
| Compound ID |
CP0512132
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| Compound Name |
8-fluoro-7-(2-fluoro-6-hydroxyphenyl)-1-(4-methyl-2-propan-2-ylpyridin-3-yl)-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[4,3-d]pyrimidin-2-one
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| Structure |
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| Formula |
C30H30F2N6O3
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| Molecular Weight |
560.605
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| Canonical SMILES |
CC(C)c1nccc(C)c1-n1c2c(F)c(ncc2c(nc1=O)N1CCN(C[C@@H]1C)C(=O)C=C)-c1c(O)cccc1F
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| InChI |
InChI=1S/C30H30F2N6O3/c1-6-22(40)36-12-13-37(18(5)15-36)29-19-14-34-26(23-20(31)8-7-9-21(23)39)24(32)28(19)38(30(41)35-29)27-17(4)10-11-33-25(27)16(2)3/h6-11,14,16,18,39H,1,12-13,15H2,2-5H3/t18-/m0/s1
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| InChIKey |
BMYLNWKIHCJFRN-SFHVURJKSA-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