General Information of the Compound
| Compound ID |
CP0523907
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| Compound Name |
CHEMBL1209280
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| Formula |
C21H22N4S
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| Molecular Weight |
362.502
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| Canonical SMILES |
C(Nc1nc(cs1)-c1ccccn1)[C@@H]1[C@@H]2CN(Cc3ccccc3)C[C@H]12
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| InChI |
InChI=1S/C21H22N4S/c1-2-6-15(7-3-1)11-25-12-17-16(18(17)13-25)10-23-21-24-20(14-26-21)19-8-4-5-9-22-19/h1-9,14,16-18H,10-13H2,(H,23,24)/t16-,17+,18-
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| InChIKey |
UQSCBZYWISCZMJ-BCDXTJNWSA-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