General Information of the Compound
| Compound ID |
CP0421192
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| Compound Name |
4-cyclohexyl-N-[4-[2-[di(propan-2-yl)amino]ethoxy]-3-methoxyphenyl]benzamide
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| Structure |
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| Formula |
C28H40N2O3
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| Molecular Weight |
452.639
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| Canonical SMILES |
COc1cc(NC(=O)c2ccc(cc2)C2CCCCC2)ccc1OCCN(C(C)C)C(C)C
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| InChI |
InChI=1S/C28H40N2O3/c1-20(2)30(21(3)4)17-18-33-26-16-15-25(19-27(26)32-5)29-28(31)24-13-11-23(12-14-24)22-9-7-6-8-10-22/h11-16,19-22H,6-10,17-18H2,1-5H3,(H,29,31)
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| InChIKey |
ZCPDOTCFPIBGNP-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