General Information of the Compound
| Compound ID |
CP0492558
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| Compound Name |
2a-[4-[4-(2,6-dimethylphenyl)piperazin-1-yl]butyl]-1,3,4,5-tetrahydrobenzo[cd]indol-2-one
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| Structure |
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| Formula |
C27H35N3O
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| Molecular Weight |
417.597
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| Canonical SMILES |
Cc1cccc(C)c1N1CCN(CCCCC23CCCc4cccc(NC2=O)c34)CC1
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| InChI |
InChI=1S/C27H35N3O/c1-20-8-5-9-21(2)25(20)30-18-16-29(17-19-30)15-4-3-13-27-14-7-11-22-10-6-12-23(24(22)27)28-26(27)31/h5-6,8-10,12H,3-4,7,11,13-19H2,1-2H3,(H,28,31)
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| InChIKey |
MXCOLZHACUEKRL-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