General Information of the Compound
| Compound ID |
CP0572265
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| Compound Name |
US9428456, 1.281
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| Structure |
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| Formula |
C25H33N3O2S
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| Molecular Weight |
439.625
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| Canonical SMILES |
Cc1ccc(s1)C(=O)Nc1cccc(CN2CCC(CC2)C(=O)NC2CCCCC2)c1
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| InChI |
InChI=1S/C25H33N3O2S/c1-18-10-11-23(31-18)25(30)27-22-9-5-6-19(16-22)17-28-14-12-20(13-15-28)24(29)26-21-7-3-2-4-8-21/h5-6,9-11,16,20-21H,2-4,7-8,12-15,17H2,1H3,(H,26,29)(H,27,30)
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| InChIKey |
MPIAOHRYJVHGPW-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