General Information of the Compound
| Compound ID |
CP0405973
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| Compound Name |
4-(7-Isopropoxy-quinazolin-4-yl)-piperazine-1-carboxylic acid (4-phenoxy-phenyl)-amide
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| Structure |
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| Formula |
C28H29N5O3
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| Molecular Weight |
483.572
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| Canonical SMILES |
CC(C)Oc1ccc2c(ncnc2c1)N1CCN(CC1)C(=O)Nc1ccc(Oc2ccccc2)cc1
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| InChI |
InChI=1S/C28H29N5O3/c1-20(2)35-24-12-13-25-26(18-24)29-19-30-27(25)32-14-16-33(17-15-32)28(34)31-21-8-10-23(11-9-21)36-22-6-4-3-5-7-22/h3-13,18-20H,14-17H2,1-2H3,(H,31,34)
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| InChIKey |
QXVHPYHFIHRJBM-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