General Information of the Compound
| Compound ID |
CP0563945
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| Compound Name |
BDBM164690
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| Structure |
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| Formula |
C21H28N2O2S
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| Molecular Weight |
372.534
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| Canonical SMILES |
CCCS(=O)(=O)NCc1ccc2CCC(N)C(Cc3ccccc3)c2c1
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| InChI |
InChI=1S/C21H28N2O2S/c1-2-12-26(24,25)23-15-17-8-9-18-10-11-21(22)20(19(18)14-17)13-16-6-4-3-5-7-16/h3-9,14,20-21,23H,2,10-13,15,22H2,1H3
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| InChIKey |
LAJRMLHKDHAMOJ-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