General Information of the Compound
| Compound ID |
CP0409885
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| Compound Name |
2-[[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]methyl]-3-[5-(2-fluoroacetyl)-2-propan-2-yloxyphenyl]quinazolin-4-one
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| Structure |
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| Formula |
C32H32ClFN4O5
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| Molecular Weight |
607.082
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| Canonical SMILES |
CC(C)Oc1ccc(cc1-n1c(CN2CCN(CC2)C(=O)COc2ccc(Cl)cc2)nc2ccccc2c1=O)C(=O)CF
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| InChI |
InChI=1S/C32H32ClFN4O5/c1-21(2)43-29-12-7-22(28(39)18-34)17-27(29)38-30(35-26-6-4-3-5-25(26)32(38)41)19-36-13-15-37(16-14-36)31(40)20-42-24-10-8-23(33)9-11-24/h3-12,17,21H,13-16,18-20H2,1-2H3
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| InChIKey |
VQCANMVYTKWJNM-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