General Information of the Compound
| Compound ID |
CP0555130
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| Compound Name |
N-[12-[3-(dimethylamino)anilino]-3,11-dithia-5,13-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,12-tetraen-4-yl]-2,2-dimethylpropanamide
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| Structure |
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| Formula |
C22H27N5OS2
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| Molecular Weight |
441.626
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| Canonical SMILES |
CN(C)c1cccc(Nc2nc-3c(CCCc4nc(NC(=O)C(C)(C)C)sc-34)s2)c1
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| InChI |
InChI=1S/C22H27N5OS2/c1-22(2,3)19(28)26-21-24-15-10-7-11-16-17(18(15)30-21)25-20(29-16)23-13-8-6-9-14(12-13)27(4)5/h6,8-9,12H,7,10-11H2,1-5H3,(H,23,25)(H,24,26,28)
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| InChIKey |
VMJNSYQIYBEQES-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