General Information of the Compound
| Compound ID |
CP0404767
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| Compound Name |
4-amino-5-chloro-N-[1-[8-(1,3-dioxoisoindol-2-yl)octyl]piperidin-4-yl]-2-methoxybenzamide
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| Structure |
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| Formula |
C29H37ClN4O4
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| Molecular Weight |
541.092
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| Canonical SMILES |
COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CCCCCCCCN2C(=O)c3ccccc3C2=O)CC1
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| InChI |
InChI=1S/C29H37ClN4O4/c1-38-26-19-25(31)24(30)18-23(26)27(35)32-20-12-16-33(17-13-20)14-8-4-2-3-5-9-15-34-28(36)21-10-6-7-11-22(21)29(34)37/h6-7,10-11,18-20H,2-5,8-9,12-17,31H2,1H3,(H,32,35)
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| InChIKey |
PMJHYMLOSPCGKR-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