General Information of the Compound
| Compound ID |
CP0219430
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| Compound Name |
US9266835, 80
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| Structure |
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| Formula |
C33H29Cl2N3O3S
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| Molecular Weight |
618.586
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| Canonical SMILES |
Clc1ccc(cc1)C(c1ccc(Cl)cc1)c1ccc2[nH]c(=O)cc(NC3CCN(CC3)S(=O)(=O)c3ccccc3)c2c1
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| InChI |
InChI=1S/C33H29Cl2N3O3S/c34-25-11-6-22(7-12-25)33(23-8-13-26(35)14-9-23)24-10-15-30-29(20-24)31(21-32(39)37-30)36-27-16-18-38(19-17-27)42(40,41)28-4-2-1-3-5-28/h1-15,20-21,27,33H,16-19H2,(H2,36,37,39)
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| InChIKey |
SPSDQCVVNWOHJA-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