General Information of the Compound
Compound ID |
CP0441049
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Compound Name |
1-[3-(4-cyclooctylpiperazin-1-yl)propanoyl]-N,N-dimethyl-2,3-dihydroindole-2-carboxamide
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Structure |
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Formula |
C26H40N4O2
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Molecular Weight |
440.632
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Canonical SMILES |
CN(C)C(=O)C1Cc2ccccc2N1C(=O)CCN1CCN(CC1)C1CCCCCCC1
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InChI |
InChI=1S/C26H40N4O2/c1-27(2)26(32)24-20-21-10-8-9-13-23(21)30(24)25(31)14-15-28-16-18-29(19-17-28)22-11-6-4-3-5-7-12-22/h8-10,13,22,24H,3-7,11-12,14-20H2,1-2H3
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InChIKey |
DXAIDZQYIDEULO-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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