General Information of the Compound
| Compound ID |
CP0400082
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| Compound Name |
(E)-3-(4-chlorophenyl)-N-[2-[4-hydroxy-4-(2-hydroxyethyl)piperidin-1-yl]-4-methylquinazolin-6-yl]prop-2-enamide
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| Structure |
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| Formula |
C25H27ClN4O3
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| Molecular Weight |
466.969
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| Canonical SMILES |
Cc1nc(nc2ccc(NC(=O)\C=C\c3ccc(Cl)cc3)cc12)N1CCC(O)(CCO)CC1
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| InChI |
InChI=1S/C25H27ClN4O3/c1-17-21-16-20(28-23(32)9-4-18-2-5-19(26)6-3-18)7-8-22(21)29-24(27-17)30-13-10-25(33,11-14-30)12-15-31/h2-9,16,31,33H,10-15H2,1H3,(H,28,32)/b9-4+
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| InChIKey |
BMBZVQHSBGVSGX-RUDMXATFSA-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