General Information of the Compound
| Compound ID |
CP0134290
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| Compound Name |
2-(10-ethyl-13-oxa-3,4,6,7,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7-tetraen-5-yl)-N-(piperidin-4-ylmethyl)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 |
CCN1CCOc2c1cnn1c(nnc21)-c1ccc2cccc(NCC3CCNCC3)c2n1
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| InChI |
InChI=1S/C24H28N8O/c1-2-31-12-13-33-22-20(31)15-27-32-23(29-30-24(22)32)19-7-6-17-4-3-5-18(21(17)28-19)26-14-16-8-10-25-11-9-16/h3-7,15-16,25-26H,2,8-14H2,1H3
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| InChIKey |
ZXWCVIPMPJIAAK-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