General Information of the Compound
| Compound ID |
CP0497021
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| Compound Name |
5-chloro-N-((R)-4-(3,4-dimethoxyphenyl)-4-(1,3-dioxo-4-(4-((R)-1-phenylethyl)piperazin-1-yl)isoindolin-2-yl)butyl)thiophene-2-sulfonamide
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| Structure |
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| Formula |
C36H39ClN4O6S2
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| Molecular Weight |
723.317
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| Canonical SMILES |
COc1ccc(cc1OC)[C@@H](CCCNS(=O)(=O)c1ccc(Cl)s1)N1C(=O)c2cccc(N3CCN(CC3)[C@H](C)c3ccccc3)c2C1=O
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| InChI |
InChI=1S/C36H39ClN4O6S2/c1-24(25-9-5-4-6-10-25)39-19-21-40(22-20-39)29-12-7-11-27-34(29)36(43)41(35(27)42)28(26-14-15-30(46-2)31(23-26)47-3)13-8-18-38-49(44,45)33-17-16-32(37)48-33/h4-7,9-12,14-17,23-24,28,38H,8,13,18-22H2,1-3H3/t24-,28-/m1/s1
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| InChIKey |
IDDBPMNXNXZKPM-UFHPHHKVSA-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