General Information of the Compound
| Compound ID |
CP0882822
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| Compound Name |
SID99360413
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| Structure |
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| Formula |
C32H31ClF3N3O4S
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| Molecular Weight |
646.131
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| Canonical SMILES |
O=C(NCc1cc(C(F)(F)F)ccc1Cl)c1cccc2c1C(=O)c1ccc(N3CCC(N4CCCCC4)CC3)cc1S2(=O)=O
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| InChI |
InChI=1S/C32H31ClF3N3O4S/c33-26-10-7-21(32(34,35)36)17-20(26)19-37-31(41)25-5-4-6-27-29(25)30(40)24-9-8-23(18-28(24)44(27,42)43)39-15-11-22(12-16-39)38-13-2-1-3-14-38/h4-10,17-18,22H,1-3,11-16,19H2,(H,37,41)
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| InChIKey |
QYWMDGVCAOOYAT-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