General Information of the Compound
| Compound ID |
CP0534551
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| Compound Name |
US9969687, Compound 195
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| Structure |
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| Formula |
C25H21ClN4O4S
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| Molecular Weight |
508.987
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| Canonical SMILES |
CC(C)(C)c1ccc(cc1)S(=O)(=O)Nc1ccc(Cl)c2C(=O)N(Cc3cncc(c3)C#N)C(=O)c12
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| InChI |
InChI=1S/C25H21ClN4O4S/c1-25(2,3)17-4-6-18(7-5-17)35(33,34)29-20-9-8-19(26)21-22(20)24(32)30(23(21)31)14-16-10-15(11-27)12-28-13-16/h4-10,12-13,29H,14H2,1-3H3
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| InChIKey |
NHPOMDKQPIGHPK-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