General Information of the Compound
| Compound ID |
CP0188219
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| Compound Name |
N-[1-[(3-bromo-4-piperidin-4-yloxyphenyl)methyl]piperidin-4-yl]-5-cyano-1-benzothiophene-2-carboxamide
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| Structure |
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| Formula |
C27H29BrN4O2S
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| Molecular Weight |
553.526
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| Canonical SMILES |
Brc1cc(CN2CCC(CC2)NC(=O)c2cc3cc(ccc3s2)C#N)ccc1OC1CCNCC1
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| InChI |
InChI=1S/C27H29BrN4O2S/c28-23-14-19(1-3-24(23)34-22-5-9-30-10-6-22)17-32-11-7-21(8-12-32)31-27(33)26-15-20-13-18(16-29)2-4-25(20)35-26/h1-4,13-15,21-22,30H,5-12,17H2,(H,31,33)
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| InChIKey |
OHDBOQZHJURPAR-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