General Information of the Compound
| Compound ID |
CP0139013
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| Compound Name |
1-[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-yl]piperidin-4-amine
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| Structure |
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| Formula |
C22H24N8O
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| Molecular Weight |
416.489
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| Canonical SMILES |
CN1CCOc2c1cnn1c(nnc21)-c1ccc2cccc(N3CCC(N)CC3)c2n1
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| InChI |
InChI=1S/C22H24N8O/c1-28-11-12-31-20-18(28)13-24-30-21(26-27-22(20)30)16-6-5-14-3-2-4-17(19(14)25-16)29-9-7-15(23)8-10-29/h2-6,13,15H,7-12,23H2,1H3
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| InChIKey |
LNPQKOKBBJUSNM-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