General Information of the Compound
| Compound ID |
CP0371697
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| Compound Name |
(E)-3-(3,4-dichlorophenyl)-1-(4-((4-(4-(dimethylamino)phenyl)piperidin-1-yl)methyl)piperidin-1-yl)prop-2-en-1-one
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| Structure |
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| Formula |
C28H35Cl2N3O
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| Molecular Weight |
500.514
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| Canonical SMILES |
CN(C)c1ccc(cc1)C1CCN(CC2CCN(CC2)C(=O)\C=C\c2ccc(Cl)c(Cl)c2)CC1
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| InChI |
InChI=1S/C28H35Cl2N3O/c1-31(2)25-7-5-23(6-8-25)24-13-15-32(16-14-24)20-22-11-17-33(18-12-22)28(34)10-4-21-3-9-26(29)27(30)19-21/h3-10,19,22,24H,11-18,20H2,1-2H3/b10-4+
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| InChIKey |
YPXHFKKWHZNHQN-ONNFQVAWSA-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