General Information of the Compound
| Compound ID |
CP0523908
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| Compound Name |
CHEMBL1209216
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| Formula |
C24H24N4OS
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| Molecular Weight |
416.55
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| Canonical SMILES |
O=C([C@H]1C[C@@H]1c1ccccc1)N1C[C@H]2[C@@H](CNc3nc(cs3)-c3ccccn3)[C@H]2C1
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| InChI |
InChI=1S/C24H24N4OS/c29-23(17-10-16(17)15-6-2-1-3-7-15)28-12-19-18(20(19)13-28)11-26-24-27-22(14-30-24)21-8-4-5-9-25-21/h1-9,14,16-20H,10-13H2,(H,26,27)/t16-,17+,18-,19+,20-/m1/s1
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| InChIKey |
CLIBJGOZHDJBND-UJMXGEILSA-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