General Information of the Compound
| Compound ID |
CP0335238
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| Compound Name |
3-[[2-(1,3-benzothiazol-6-ylamino)pyrimidin-4-yl]amino]-4-(tert-butylamino)cyclobut-3-ene-1,2-dione
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| Structure |
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| Formula |
C19H18N6O2S
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| Molecular Weight |
394.46
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| Canonical SMILES |
CC(C)(C)Nc1c(Nc2ccnc(Nc3ccc4ncsc4c3)n2)c(=O)c1=O
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| InChI |
InChI=1S/C19H18N6O2S/c1-19(2,3)25-15-14(16(26)17(15)27)23-13-6-7-20-18(24-13)22-10-4-5-11-12(8-10)28-9-21-11/h4-9,25H,1-3H3,(H2,20,22,23,24)
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| InChIKey |
VDGBGQVBOFMCSF-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