General Information of the Compound
| Compound ID |
CP0555024
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| Compound Name |
11-benzyl-7-methyl-4-phenyl-13-thiophen-2-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 |
C26H19N5OS
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| Molecular Weight |
449.539
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| Canonical SMILES |
Cc1nc2c(c(nn(Cc3ccccc3)c2=O)-c2cccs2)c2cc(nn12)-c1ccccc1
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| InChI |
InChI=1S/C26H19N5OS/c1-17-27-25-23(21-15-20(28-31(17)21)19-11-6-3-7-12-19)24(22-13-8-14-33-22)29-30(26(25)32)16-18-9-4-2-5-10-18/h2-15H,16H2,1H3
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| InChIKey |
FJWRWPNKRWHEEI-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