General Information of the Compound
| Compound ID |
CP0573363
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| Compound Name |
N-tert-butyl-1-[7-chloro-2-[2-chloro-5-[(2-methylpropanoylamino)methyl]phenyl]-4-oxo-3H-quinazolin-6-yl]azetidine-3-carboxamide
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| Structure |
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| Formula |
C27H31Cl2N5O3
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| Molecular Weight |
544.483
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| Canonical SMILES |
CC(C)C(=O)NCc1ccc(Cl)c(c1)-c1nc2cc(Cl)c(cc2c(=O)[nH]1)N1CC(C1)C(=O)NC(C)(C)C
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| InChI |
InChI=1S/C27H31Cl2N5O3/c1-14(2)24(35)30-11-15-6-7-19(28)17(8-15)23-31-21-10-20(29)22(9-18(21)26(37)32-23)34-12-16(13-34)25(36)33-27(3,4)5/h6-10,14,16H,11-13H2,1-5H3,(H,30,35)(H,33,36)(H,31,32,37)
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| InChIKey |
UJTLQEXWSTVVFY-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