General Information of the Compound
| Compound ID |
CP0415032
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| Compound Name |
4-[3-[(dimethylamino)methyl]pyrrol-1-yl]-2-(2-piperidin-1-ylethoxy)-N-(3-piperidin-1-ylpropyl)aniline
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| Structure |
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| Formula |
C28H45N5O
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| Molecular Weight |
467.702
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| Canonical SMILES |
CN(C)Cc1ccn(c1)-c1ccc(NCCCN2CCCCC2)c(OCCN2CCCCC2)c1
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| InChI |
InChI=1S/C28H45N5O/c1-30(2)23-25-12-19-33(24-25)26-10-11-27(29-13-9-18-31-14-5-3-6-15-31)28(22-26)34-21-20-32-16-7-4-8-17-32/h10-12,19,22,24,29H,3-9,13-18,20-21,23H2,1-2H3
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| InChIKey |
CAVBMNQXVQHWNN-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