General Information of the Compound
| Compound ID |
CP0521953
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| Compound Name |
CHEMBL1209277
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| Formula |
C20H24N4O2S
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| Molecular Weight |
384.505
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| Canonical SMILES |
O=C(C1CCOCC1)N1C[C@H]2[C@@H](CNc3nc(cs3)-c3ccccn3)[C@H]2C1
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| InChI |
InChI=1S/C20H24N4O2S/c25-19(13-4-7-26-8-5-13)24-10-15-14(16(15)11-24)9-22-20-23-18(12-27-20)17-3-1-2-6-21-17/h1-3,6,12-16H,4-5,7-11H2,(H,22,23)/t14-,15+,16-
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| InChIKey |
RGDWGHPAMAPZLW-MUJYYYPQSA-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