General Information of the Compound
| Compound ID |
CP0501588
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| Compound Name |
CHEMBL1209160
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| Formula |
C24H24N4OS
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| Molecular Weight |
416.55
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| Canonical SMILES |
O=C(N1C[C@H]2[C@@H](CNc3nc(cs3)-c3ccccn3)[C@H]2C1)C1(CC1)c1ccccc1
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| InChI |
InChI=1S/C24H24N4OS/c29-22(24(9-10-24)16-6-2-1-3-7-16)28-13-18-17(19(18)14-28)12-26-23-27-21(15-30-23)20-8-4-5-11-25-20/h1-8,11,15,17-19H,9-10,12-14H2,(H,26,27)/t17-,18+,19-
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| InChIKey |
LGICFMDDKHYJDL-REPLKXPHSA-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