General Information of the Compound
| Compound ID |
CP0072236
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| Compound Name |
CAS_91-80-5
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| Structure |
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| Formula |
C14H19N3S
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| Molecular Weight |
261.394
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| Canonical SMILES |
CN(C)CCN(Cc1cccs1)c1ccccn1
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| InChI |
InChI=1S/C14H19N3S/c1-16(2)9-10-17(12-13-6-5-11-18-13)14-7-3-4-8-15-14/h3-8,11H,9-10,12H2,1-2H3
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| InChIKey |
HNJJXZKZRAWDPF-UHFFFAOYSA-N
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| CAS |
91-80-5
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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