General Information of the Compound
| Compound ID |
CP0139015
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| Compound Name |
N-[(4-fluoropiperidin-4-yl)methyl]-7-(10-methyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)isoquinolin-1-amine
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| Structure |
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| Formula |
C23H25FN8O
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| Molecular Weight |
448.506
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| Canonical SMILES |
CN1CCOc2c1cnn1c(nnc21)-c1ccc2ccnc(NCC3(F)CCNCC3)c2c1
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| InChI |
InChI=1S/C23H25FN8O/c1-31-10-11-33-19-18(31)13-28-32-21(29-30-22(19)32)16-3-2-15-4-7-26-20(17(15)12-16)27-14-23(24)5-8-25-9-6-23/h2-4,7,12-13,25H,5-6,8-11,14H2,1H3,(H,26,27)
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| InChIKey |
FDOTVWCTNRPFBV-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