General Information of the Compound
| Compound ID |
CP0479510
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| Compound Name |
methyl (E)-4-[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]-4-oxobut-2-enoate
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| Formula |
C22H22Cl2N2O3
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| Molecular Weight |
433.335
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| Canonical SMILES |
COC(=O)\C=C\C(=O)N1CCN(CC1)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C22H22Cl2N2O3/c1-29-21(28)11-10-20(27)25-12-14-26(15-13-25)22(16-2-6-18(23)7-3-16)17-4-8-19(24)9-5-17/h2-11,22H,12-15H2,1H3/b11-10+
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| InChIKey |
MJPJVSGWICKDQC-ZHACJKMWSA-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