General Information of the Compound
| Compound ID |
CP0512944
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| Compound Name |
US9428456, 1.158
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| Structure |
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| Formula |
C25H32ClN3O2S
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| Molecular Weight |
474.07
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| Canonical SMILES |
Cc1ccc(s1)C(=O)Nc1cc(CN2CCC(CC2)C(=O)NC2CCCCC2)ccc1Cl
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| InChI |
InChI=1S/C25H32ClN3O2S/c1-17-7-10-23(32-17)25(31)28-22-15-18(8-9-21(22)26)16-29-13-11-19(12-14-29)24(30)27-20-5-3-2-4-6-20/h7-10,15,19-20H,2-6,11-14,16H2,1H3,(H,27,30)(H,28,31)
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| InChIKey |
HOHMBIGNVLUNTN-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