General Information of the Compound
| Compound ID |
CP0930772
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| Compound Name |
US9233953, 140
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| Structure |
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| Formula |
C23H24Cl2N4O3S
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| Molecular Weight |
507.443
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| Canonical SMILES |
O=C(C1CCS(=O)(=O)CC1)N1CCN(c2nc3cc(Cl)c(Cl)cc3[nH]2)CC1c1ccccc1
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| InChI |
InChI=1S/C23H24Cl2N4O3S/c24-17-12-19-20(13-18(17)25)27-23(26-19)28-8-9-29(21(14-28)15-4-2-1-3-5-15)22(30)16-6-10-33(31,32)11-7-16/h1-5,12-13,16,21H,6-11,14H2,(H,26,27)
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| InChIKey |
HDOWRBVVBHKXCH-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