General Information of the Compound
| Compound ID |
CP0409512
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| Compound Name |
(1S,2R)-1-(3,4-dichlorophenyl)-N-(4-fluorobenzyl)-N-methyl-2-((4-(2-(piperidin-1-yl)acetyl)piperazin-1-yl)methyl)cyclopropanecarboxamide
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| Structure |
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| Formula |
C30H37Cl2FN4O2
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| Molecular Weight |
575.556
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| Canonical SMILES |
CN(Cc1ccc(F)cc1)C(=O)[C@]1(C[C@H]1CN1CCN(CC1)C(=O)CN1CCCCC1)c1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C30H37Cl2FN4O2/c1-34(19-22-5-8-25(33)9-6-22)29(39)30(23-7-10-26(31)27(32)17-23)18-24(30)20-36-13-15-37(16-14-36)28(38)21-35-11-3-2-4-12-35/h5-10,17,24H,2-4,11-16,18-21H2,1H3/t24-,30+/m0/s1
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| InChIKey |
HMEXUNLOTPELNZ-QABMSTFYSA-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