General Information of the Compound
| Compound ID |
CP0365954
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| Compound Name |
N-[(4-fluoropiperidin-4-yl)methyl]-6-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 |
C24H27FN8O
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| Molecular Weight |
462.533
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| Canonical SMILES |
CN1CCOc2c1cnn1c(nnc21)-c1ccc2cc(C)cc(NCC3(F)CCNCC3)c2n1
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| InChI |
InChI=1S/C24H27FN8O/c1-15-11-16-3-4-17(29-20(16)18(12-15)27-14-24(25)5-7-26-8-6-24)22-30-31-23-21-19(13-28-33(22)23)32(2)9-10-34-21/h3-4,11-13,26-27H,5-10,14H2,1-2H3
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| InChIKey |
LURWYEWOUAIFNC-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