General Information of the Compound
| Compound ID |
CP0487089
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| Compound Name |
N-[2-[2-bromo-4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]-4-(4-chlorophenyl)benzamide
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| Structure |
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| Formula |
C26H26BrClN2O
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| Molecular Weight |
497.864
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| Canonical SMILES |
Clc1ccc(cc1)-c1ccc(cc1)C(=O)NCCc1ccc(CN2CCCC2)cc1Br
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| InChI |
InChI=1S/C26H26BrClN2O/c27-25-17-19(18-30-15-1-2-16-30)3-4-22(25)13-14-29-26(31)23-7-5-20(6-8-23)21-9-11-24(28)12-10-21/h3-12,17H,1-2,13-16,18H2,(H,29,31)
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| InChIKey |
VUEXAULJDGRSPZ-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