General Information of the Compound
| Compound ID |
CP0515096
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| Compound Name |
1-[4-[bis(4-chlorophenyl)methyl]piperazin-1-yl]prop-2-yn-1-one
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| Formula |
C20H18Cl2N2O
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| Molecular Weight |
373.283
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| Canonical SMILES |
Clc1ccc(cc1)C(N1CCN(CC1)C(=O)C#C)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C20H18Cl2N2O/c1-2-19(25)23-11-13-24(14-12-23)20(15-3-7-17(21)8-4-15)16-5-9-18(22)10-6-16/h1,3-10,20H,11-14H2
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| InChIKey |
LGFAIWUEBNWVDP-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