General Information of the Compound
| Compound ID |
CP0560562
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| Compound Name |
US8653100, 55
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| Structure |
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| Formula |
C25H33ClN4O3S
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| Molecular Weight |
505.084
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| Canonical SMILES |
Clc1ccc(cc1)C1(CCC1)C1NCCc2ccc(OCCNS(=O)(=O)N3CCNCC3)cc12
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| InChI |
InChI=1S/C25H33ClN4O3S/c26-21-5-3-20(4-6-21)25(9-1-10-25)24-23-18-22(7-2-19(23)8-11-28-24)33-17-14-29-34(31,32)30-15-12-27-13-16-30/h2-7,18,24,27-29H,1,8-17H2
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| InChIKey |
ZUTYLAGNHBISDP-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