General Information of the Compound
| Compound ID |
CP0540041
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| Compound Name |
N-[13-[3-(dimethylamino)anilino]-3,12-dithia-5,14-diazatricyclo[9.3.0.02,6]tetradeca-1(11),2(6),4,13-tetraen-4-yl]-2,2-dimethylpropanamide
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| Structure |
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| Formula |
C23H29N5OS2
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| Molecular Weight |
455.653
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| Canonical SMILES |
CN(C)c1cccc(Nc2nc-3c(CCCCc4nc(NC(=O)C(C)(C)C)sc-34)s2)c1
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| InChI |
InChI=1S/C23H29N5OS2/c1-23(2,3)20(29)27-22-25-16-11-6-7-12-17-18(19(16)31-22)26-21(30-17)24-14-9-8-10-15(13-14)28(4)5/h8-10,13H,6-7,11-12H2,1-5H3,(H,24,26)(H,25,27,29)
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| InChIKey |
XLBBJYCLBZKFSD-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