General Information of the Compound
| Compound ID |
CP0537474
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| Compound Name |
US9266876, 23
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| Structure |
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| Formula |
C24H22ClN7OS
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| Molecular Weight |
492.008
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| Canonical SMILES |
C[C@@H]1CN(CCN1C(=O)Cn1ccc2cccnc12)c1scnc1-c1nc2ccc(Cl)cc2[nH]1
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| InChI |
InChI=1S/C24H22ClN7OS/c1-15-12-31(9-10-32(15)20(33)13-30-8-6-16-3-2-7-26-23(16)30)24-21(27-14-34-24)22-28-18-5-4-17(25)11-19(18)29-22/h2-8,11,14-15H,9-10,12-13H2,1H3,(H,28,29)/t15-/m1/s1
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| InChIKey |
PZQMHAPTLOZMNF-OAHLLOKOSA-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