General Information of the Compound
| Compound ID |
CP0881745
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| Compound Name |
US9233953, 146
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| Structure |
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| Formula |
C24H27ClN4O3S
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| Molecular Weight |
487.025
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| Canonical SMILES |
Cc1cc2[nH]c(N3CCN(C(=O)C4CCS(=O)(=O)CC4)C(c4ccccc4)C3)nc2cc1Cl
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| InChI |
InChI=1S/C24H27ClN4O3S/c1-16-13-20-21(14-19(16)25)27-24(26-20)28-9-10-29(22(15-28)17-5-3-2-4-6-17)23(30)18-7-11-33(31,32)12-8-18/h2-6,13-14,18,22H,7-12,15H2,1H3,(H,26,27)
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| InChIKey |
ORCJXYLAAUHLHW-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