General Information of the Compound
| Compound ID |
CP0554639
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| Compound Name |
US9266876, 72
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| Structure |
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| Formula |
C24H23ClN8OS
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| Molecular Weight |
507.023
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| Canonical SMILES |
C[C@H]1CN(C[C@@H](C)N1C(=O)Cn1cnc2cccnc12)c1scnc1-c1nc2cc(Cl)ccc2[nH]1
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| InChI |
InChI=1S/C24H23ClN8OS/c1-14-9-31(24-21(28-13-35-24)22-29-17-6-5-16(25)8-19(17)30-22)10-15(2)33(14)20(34)11-32-12-27-18-4-3-7-26-23(18)32/h3-8,12-15H,9-11H2,1-2H3,(H,29,30)/t14-,15+
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| InChIKey |
ZNTQHUWUAHGPDV-GASCZTMLSA-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