General Information of the Compound
| Compound ID |
CP0183573
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| Compound Name |
2a-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3,4,5-tetrahydrobenzo[cd]indol-2-one
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| Structure |
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| Formula |
C23H27N3O
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| Molecular Weight |
361.489
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| Canonical SMILES |
O=C1Nc2cccc3CCCC1(CCN1CCN(CC1)c1ccccc1)c23
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| InChI |
InChI=1S/C23H27N3O/c27-22-23(11-5-7-18-6-4-10-20(24-22)21(18)23)12-13-25-14-16-26(17-15-25)19-8-2-1-3-9-19/h1-4,6,8-10H,5,7,11-17H2,(H,24,27)
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| InChIKey |
VJFKVFYLGTWIJL-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