General Information of the Compound
| Compound ID |
CP0763370
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| Compound Name |
US9266835, 39
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| Structure |
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| Formula |
C24H23ClN4OS
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| Molecular Weight |
450.995
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| Canonical SMILES |
O=c1cc(NC2CCNCC2)c2cc(C(c3ccc(Cl)cc3)c3nccs3)ccc2[nH]1
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| InChI |
InChI=1S/C24H23ClN4OS/c25-17-4-1-15(2-5-17)23(24-27-11-12-31-24)16-3-6-20-19(13-16)21(14-22(30)29-20)28-18-7-9-26-10-8-18/h1-6,11-14,18,23,26H,7-10H2,(H2,28,29,30)
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| InChIKey |
UFEOYNVZDUOLDY-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