General Information of the Compound
| Compound ID |
CP0500853
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| Compound Name |
4-Quinazolin-4-yl-piperazine-1-carboxylic acid (4-phenoxy-phenyl)-amide
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| Structure |
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| Formula |
C25H23N5O2
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| Molecular Weight |
425.492
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| Canonical SMILES |
O=C(Nc1ccc(Oc2ccccc2)cc1)N1CCN(CC1)c1ncnc2ccccc12
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| InChI |
InChI=1S/C25H23N5O2/c31-25(28-19-10-12-21(13-11-19)32-20-6-2-1-3-7-20)30-16-14-29(15-17-30)24-22-8-4-5-9-23(22)26-18-27-24/h1-13,18H,14-17H2,(H,28,31)
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| InChIKey |
OCYUAKZKASVRCA-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