General Information of the Compound
| Compound ID |
CP0426336
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| Compound Name |
(1S,2R)-1-(3,4-dichlorophenyl)-N-(4-fluorobenzyl)-N-methyl-2-((4-(2-morpholinoethyl)piperazin-1-yl)methyl)cyclopropanecarboxamide
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| Structure |
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| Formula |
C29H37Cl2FN4O2
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| Molecular Weight |
563.545
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| Canonical SMILES |
CN(Cc1ccc(F)cc1)C(=O)[C@]1(C[C@H]1CN1CCN(CCN2CCOCC2)CC1)c1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C29H37Cl2FN4O2/c1-33(20-22-2-5-25(32)6-3-22)28(37)29(23-4-7-26(30)27(31)18-23)19-24(29)21-36-12-10-34(11-13-36)8-9-35-14-16-38-17-15-35/h2-7,18,24H,8-17,19-21H2,1H3/t24-,29+/m0/s1
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| InChIKey |
JIYYXPSDGFYLNN-PWUYWRBVSA-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