General Information of the Compound
| Compound ID |
CP0563455
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| Compound Name |
US9434711, 745
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| Structure |
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| Formula |
C22H23N3O2S2
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| Molecular Weight |
425.579
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| Canonical SMILES |
Cc1c(sc2ccccc12)N(CCC1CC1)S(=O)(=O)c1nc2ccccc2n1C
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| InChI |
InChI=1S/C22H23N3O2S2/c1-15-17-7-3-6-10-20(17)28-21(15)25(14-13-16-11-12-16)29(26,27)22-23-18-8-4-5-9-19(18)24(22)2/h3-10,16H,11-14H2,1-2H3
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| InChIKey |
KCMXHSIGOCRSSM-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