General Information of the Compound
| Compound ID |
CP0547477
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| Compound Name |
US9428456, 2.074
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| Structure |
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| Formula |
C22H29N3O2S
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| Molecular Weight |
399.56
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| Canonical SMILES |
CCN(CC)C(=O)C1CCN(Cc2cccc(NC(=O)c3cccs3)c2)CC1
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| InChI |
InChI=1S/C22H29N3O2S/c1-3-25(4-2)22(27)18-10-12-24(13-11-18)16-17-7-5-8-19(15-17)23-21(26)20-9-6-14-28-20/h5-9,14-15,18H,3-4,10-13,16H2,1-2H3,(H,23,26)
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| InChIKey |
BNLDBOIXGIMLAW-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