General Information of the Compound
| Compound ID |
CP0375279
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| Compound Name |
11-benzyl-4-phenyl-13-thiophen-3-yl-5,6,8,11,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,4,7,12-pentaen-10-one
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| Structure |
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| Formula |
C25H17N5OS
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| Molecular Weight |
435.512
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| Canonical SMILES |
O=c1n(Cc2ccccc2)nc(-c2ccsc2)c2c3cc(nn3cnc12)-c1ccccc1
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| InChI |
InChI=1S/C25H17N5OS/c31-25-24-22(21-13-20(27-30(21)16-26-24)18-9-5-2-6-10-18)23(19-11-12-32-15-19)28-29(25)14-17-7-3-1-4-8-17/h1-13,15-16H,14H2
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| InChIKey |
OKHOKIJSQZNIGG-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