General Information of the Compound
| Compound ID |
CP0512966
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| Compound Name |
US9428456, 1.004
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| Structure |
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| Formula |
C29H41N3O2S
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| Molecular Weight |
495.733
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| Canonical SMILES |
CC(C)Cc1cc(sc1C)C(=O)Nc1cccc(CN2CCC(CC2)C(=O)NC2CCCCC2)c1
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| InChI |
InChI=1S/C29H41N3O2S/c1-20(2)16-24-18-27(35-21(24)3)29(34)31-26-11-7-8-22(17-26)19-32-14-12-23(13-15-32)28(33)30-25-9-5-4-6-10-25/h7-8,11,17-18,20,23,25H,4-6,9-10,12-16,19H2,1-3H3,(H,30,33)(H,31,34)
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| InChIKey |
SXJFWFYNKDJQPF-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