General Information of the Compound
| Compound ID |
CP0453788
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| Compound Name |
CHEMBL1209278
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| Formula |
C14H16N4S
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| Molecular Weight |
272.377
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| Canonical SMILES |
C(Nc1nc(cs1)-c1ccccn1)[C@H]1[C@@H]2CNC[C@H]12
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| InChI |
InChI=1S/C14H16N4S/c1-2-4-16-12(3-1)13-8-19-14(18-13)17-7-11-9-5-15-6-10(9)11/h1-4,8-11,15H,5-7H2,(H,17,18)/t9-,10+,11+
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| InChIKey |
RAFJUBPAXZPQOX-URLYPYJESA-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