General Information of the Compound
| Compound ID |
CP0563668
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| Compound Name |
US9394293, G156a
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| Structure |
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| Formula |
C22H17ClFN3O3S
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| Molecular Weight |
457.914
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| Canonical SMILES |
OC[C@H](O)Cc1cnc(c(F)c1)-c1ccc(cc1)C(=O)Nc1nc2ccc(Cl)cc2s1
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| InChI |
InChI=1S/C22H17ClFN3O3S/c23-15-5-6-18-19(9-15)31-22(26-18)27-21(30)14-3-1-13(2-4-14)20-17(24)8-12(10-25-20)7-16(29)11-28/h1-6,8-10,16,28-29H,7,11H2,(H,26,27,30)/t16-/m1/s1
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| InChIKey |
AMUZKWZDRNKLNY-MRXNPFEDSA-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