General Information of the Compound
| Compound ID |
CP0501589
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| Compound Name |
CHEMBL1209100
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| Formula |
C20H19N5OS
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| Molecular Weight |
377.473
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| Canonical SMILES |
O=C(N1C[C@H]2[C@@H](CNc3nc(cs3)-c3ccccn3)[C@H]2C1)c1cccnc1
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| InChI |
InChI=1S/C20H19N5OS/c26-19(13-4-3-6-21-8-13)25-10-15-14(16(15)11-25)9-23-20-24-18(12-27-20)17-5-1-2-7-22-17/h1-8,12,14-16H,9-11H2,(H,23,24)/t14-,15+,16-
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| InChIKey |
CFZJTWUXNIQSRS-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