General Information of the Compound
| Compound ID |
CP0453789
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| Compound Name |
CHEMBL1209161
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| Formula |
C23H24N4OS
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| Molecular Weight |
404.539
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| Canonical SMILES |
O=C(CCc1ccccc1)N1C[C@H]2[C@H](CNc3nc(cs3)-c3ccccn3)[C@H]2C1
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| InChI |
InChI=1S/C23H24N4OS/c28-22(10-9-16-6-2-1-3-7-16)27-13-18-17(19(18)14-27)12-25-23-26-21(15-29-23)20-8-4-5-11-24-20/h1-8,11,15,17-19H,9-10,12-14H2,(H,25,26)/t17-,18-,19+
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| InChIKey |
PGTODXDQJMSMLR-LDLYASANSA-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