General Information of the Compound
| Compound ID |
CP0400105
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| Compound Name |
(E)-3-(4-chlorophenyl)-N-[2-[4-[(2-hydroxyacetyl)amino]piperidin-1-yl]-4-methylquinazolin-6-yl]prop-2-enamide
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| Structure |
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| Formula |
C25H26ClN5O3
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| Molecular Weight |
479.968
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| Canonical SMILES |
Cc1nc(nc2ccc(NC(=O)\C=C\c3ccc(Cl)cc3)cc12)N1CCC(CC1)NC(=O)CO
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| InChI |
InChI=1S/C25H26ClN5O3/c1-16-21-14-20(29-23(33)9-4-17-2-5-18(26)6-3-17)7-8-22(21)30-25(27-16)31-12-10-19(11-13-31)28-24(34)15-32/h2-9,14,19,32H,10-13,15H2,1H3,(H,28,34)(H,29,33)/b9-4+
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| InChIKey |
UFEZSPPUQRKFRG-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