General Information of the Compound
| Compound ID |
CP0576498
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| Compound Name |
US9428456, 1.282
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| Structure |
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| Formula |
C24H30ClN3O2S
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| Molecular Weight |
460.043
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| Canonical SMILES |
Clc1ccc(s1)C(=O)Nc1cccc(CN2CCC(CC2)C(=O)NC2CCCCC2)c1
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| InChI |
InChI=1S/C24H30ClN3O2S/c25-22-10-9-21(31-22)24(30)27-20-8-4-5-17(15-20)16-28-13-11-18(12-14-28)23(29)26-19-6-2-1-3-7-19/h4-5,8-10,15,18-19H,1-3,6-7,11-14,16H2,(H,26,29)(H,27,30)
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| InChIKey |
XFRBPLHZOIAUGT-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