General Information of the Compound
| Compound ID |
CP0434593
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| Compound Name |
5-chloro-1-(2,4-dimethoxyphenyl)sulfonyl-3-[(2R)-2,4-dimethyl-3-oxopiperazin-1-yl]-3-(2-methoxypyridin-3-yl)indol-2-one
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| Structure |
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| Formula |
C28H29ClN4O7S
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| Molecular Weight |
601.081
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| Canonical SMILES |
COc1ccc(c(OC)c1)S(=O)(=O)N1C(=O)C(N2CCN(C)C(=O)[C@H]2C)(c2cc(Cl)ccc12)c1cccnc1OC
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| InChI |
InChI=1S/C28H29ClN4O7S/c1-17-26(34)31(2)13-14-32(17)28(20-7-6-12-30-25(20)40-5)21-15-18(29)8-10-22(21)33(27(28)35)41(36,37)24-11-9-19(38-3)16-23(24)39-4/h6-12,15-17H,13-14H2,1-5H3/t17-,28?/m1/s1
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| InChIKey |
NJDZFIMDSNJFRI-WPUOIDIFSA-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