General Information of the Compound
| Compound ID |
CP0134292
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| Compound Name |
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)-N-[(1-methylpiperidin-4-yl)methyl]quinolin-8-amine
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| Structure |
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| Formula |
C24H28N8O
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| Molecular Weight |
444.543
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| Canonical SMILES |
CN1CCC(CNc2cccc3ccc(nc23)-c2nnc3c4OCCN(C)c4cnn23)CC1
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| InChI |
InChI=1S/C24H28N8O/c1-30-10-8-16(9-11-30)14-25-18-5-3-4-17-6-7-19(27-21(17)18)23-28-29-24-22-20(15-26-32(23)24)31(2)12-13-33-22/h3-7,15-16,25H,8-14H2,1-2H3
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| InChIKey |
WZIZMFJEBARBSY-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