General Information of the Compound
| Compound ID |
CP0486504
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| Compound Name |
[6-chloro-1-[4-(2-methylphenyl)piperazine-1-carbonyl]-2,4-dihydroquinazolin-3-yl]-[1-(4-fluorophenyl)cyclopropyl]methanone
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| Formula |
C30H30ClFN4O2
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| Molecular Weight |
533.047
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| Canonical SMILES |
Cc1ccccc1N1CCN(CC1)C(=O)N1CN(Cc2cc(Cl)ccc12)C(=O)C1(CC1)c1ccc(F)cc1
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| InChI |
InChI=1S/C30H30ClFN4O2/c1-21-4-2-3-5-26(21)33-14-16-34(17-15-33)29(38)36-20-35(19-22-18-24(31)8-11-27(22)36)28(37)30(12-13-30)23-6-9-25(32)10-7-23/h2-11,18H,12-17,19-20H2,1H3
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| InChIKey |
ZJAZTBPYQWYGCB-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