General Information of the Compound
| Compound ID |
CP0548587
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| Compound Name |
US8653100, 76
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| Structure |
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| Formula |
C25H33ClN2O4S
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| Molecular Weight |
493.069
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| Canonical SMILES |
CCCS(=O)(=O)NCCOc1ccc2CCNC(c2c1)C1(CCC1)c1ccc(Cl)cc1OC
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| InChI |
InChI=1S/C25H33ClN2O4S/c1-3-15-33(29,30)28-13-14-32-20-7-5-18-9-12-27-24(21(18)17-20)25(10-4-11-25)22-8-6-19(26)16-23(22)31-2/h5-8,16-17,24,27-28H,3-4,9-15H2,1-2H3
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| InChIKey |
WTZBNPYJZRUWAJ-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