General Information of the Compound
| Compound ID |
CP0526113
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| Compound Name |
US9266876, 65
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| Structure |
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| Formula |
C23H20ClN7OS
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| Molecular Weight |
477.981
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| Canonical SMILES |
Clc1ccc2ccn(CC(=O)N3CCN(CC3)c3scnc3-c3nc4ccccc4[nH]3)c2n1
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| InChI |
InChI=1S/C23H20ClN7OS/c24-18-6-5-15-7-8-31(22(15)28-18)13-19(32)29-9-11-30(12-10-29)23-20(25-14-33-23)21-26-16-3-1-2-4-17(16)27-21/h1-8,14H,9-13H2,(H,26,27)
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| InChIKey |
CXOBEUJYMZUTEP-UHFFFAOYSA-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