General Information of the Compound
| Compound ID |
CP0461621
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| Compound Name |
4-amino-5-chloro-N-[1-[5-(1,3-dioxoisoindol-2-yl)pentyl]piperidin-4-yl]-2-methoxybenzamide
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| Structure |
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| Formula |
C26H31ClN4O4
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| Molecular Weight |
499.011
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| Canonical SMILES |
COc1cc(N)c(Cl)cc1C(=O)NC1CCN(CCCCCN2C(=O)c3ccccc3C2=O)CC1
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| InChI |
InChI=1S/C26H31ClN4O4/c1-35-23-16-22(28)21(27)15-20(23)24(32)29-17-9-13-30(14-10-17)11-5-2-6-12-31-25(33)18-7-3-4-8-19(18)26(31)34/h3-4,7-8,15-17H,2,5-6,9-14,28H2,1H3,(H,29,32)
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| InChIKey |
LYBOUGULDAGMCU-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