General Information of the Compound
| Compound ID |
CP0478606
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| Compound Name |
US9428456, 3.011
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| Structure |
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| Formula |
C23H30ClN3O2S
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| Molecular Weight |
448.032
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| Canonical SMILES |
CC(C)(C)NC(=O)C1CCN(Cc2cc(NC(=O)Cc3ccccc3Cl)cs2)CC1
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| InChI |
InChI=1S/C23H30ClN3O2S/c1-23(2,3)26-22(29)16-8-10-27(11-9-16)14-19-13-18(15-30-19)25-21(28)12-17-6-4-5-7-20(17)24/h4-7,13,15-16H,8-12,14H2,1-3H3,(H,25,28)(H,26,29)
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| InChIKey |
SSHRCLUWIJHWAF-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