General Information of the Compound
| Compound ID |
CP0496927
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| Compound Name |
cyclopentyl-[4-[4-[[6-(2-methoxyethoxy)quinazolin-4-yl]amino]-2-methylphenoxy]piperidin-1-yl]methanone
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| Structure |
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| Formula |
C29H36N4O4
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| Molecular Weight |
504.631
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| Canonical SMILES |
COCCOc1ccc2ncnc(Nc3ccc(OC4CCN(CC4)C(=O)C4CCCC4)c(C)c3)c2c1
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| InChI |
InChI=1S/C29H36N4O4/c1-20-17-22(32-28-25-18-24(36-16-15-35-2)8-9-26(25)30-19-31-28)7-10-27(20)37-23-11-13-33(14-12-23)29(34)21-5-3-4-6-21/h7-10,17-19,21,23H,3-6,11-16H2,1-2H3,(H,30,31,32)
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| InChIKey |
LGZNBXZSMPAJEZ-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