General Information of the Compound
| Compound ID |
CP0441754
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| Compound Name |
5-anilino-2-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]isoindole-1,3-dione
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| Structure |
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| Formula |
C27H27N3O4
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| Molecular Weight |
457.53
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| Canonical SMILES |
COc1cc(ccc1OCCN1CCCC1)N1C(=O)c2ccc(Nc3ccccc3)cc2C1=O
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| InChI |
InChI=1S/C27H27N3O4/c1-33-25-18-21(10-12-24(25)34-16-15-29-13-5-6-14-29)30-26(31)22-11-9-20(17-23(22)27(30)32)28-19-7-3-2-4-8-19/h2-4,7-12,17-18,28H,5-6,13-16H2,1H3
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| InChIKey |
VLXYEPPEMAMNJR-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