General Information of the Compound
| Compound ID |
CP0474007
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| Compound Name |
3-[5-(4-chlorophenyl)imidazo[1,2-b]isoindol-5-yl]-1-[4-(1-pyrrolidin-1-ylethyl)piperidin-1-yl]propan-1-one
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| Structure |
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| Formula |
C30H35ClN4O
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| Molecular Weight |
503.09
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| Canonical SMILES |
CC(C1CCN(CC1)C(=O)CCC1(c2ccccc2-c2nccn12)c1ccc(Cl)cc1)N1CCCC1
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| InChI |
InChI=1S/C30H35ClN4O/c1-22(33-17-4-5-18-33)23-13-19-34(20-14-23)28(36)12-15-30(24-8-10-25(31)11-9-24)27-7-3-2-6-26(27)29-32-16-21-35(29)30/h2-3,6-11,16,21-23H,4-5,12-15,17-20H2,1H3
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| InChIKey |
DIVUWJFWEQMVAY-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