General Information of the Compound
| Compound ID |
CP0523381
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| Compound Name |
11-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-3-oxo-propyl}-2-methyl-isoindolo[2,1-a]indol-6-one
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| Structure |
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| Formula |
C30H29N3O3
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| Molecular Weight |
479.58
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| Canonical SMILES |
COc1ccccc1N1CCN(CC1)C(=O)CCc1c2-c3ccccc3C(=O)n2c2ccc(C)cc12
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| InChI |
InChI=1S/C30H29N3O3/c1-20-11-13-25-24(19-20)22(29-21-7-3-4-8-23(21)30(35)33(25)29)12-14-28(34)32-17-15-31(16-18-32)26-9-5-6-10-27(26)36-2/h3-11,13,19H,12,14-18H2,1-2H3
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| InChIKey |
RKASKHITIDVOID-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