General Information of the Compound
| Compound ID |
CP0140103
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| Compound Name |
5,6-difluoro-N-[(4-fluoropiperidin-4-yl)methyl]-2-(10-methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)quinolin-8-amine
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| Structure |
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| Formula |
C23H23F3N8O
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| Molecular Weight |
484.486
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| Canonical SMILES |
CN1CCOc2c1cnn1c(nnc21)-c1ccc2c(F)c(F)cc(NCC3(F)CCNCC3)c2n1
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| InChI |
InChI=1S/C23H23F3N8O/c1-33-8-9-35-20-17(33)11-29-34-21(31-32-22(20)34)15-3-2-13-18(25)14(24)10-16(19(13)30-15)28-12-23(26)4-6-27-7-5-23/h2-3,10-11,27-28H,4-9,12H2,1H3
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| InChIKey |
MSNPLCILYPRIGG-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