General Information of the Compound
| Compound ID |
CP0633978
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| Compound Name |
isopropyl 5-(1-(6H-thiazolo[5,4-e]indazol-2-ylamino)-2-methyl-1-oxopropan-2-ylamino)-2-chlorobenzoate
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| Structure |
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| Formula |
C22H22ClN5O3S
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| Molecular Weight |
471.97
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| Canonical SMILES |
CC(C)OC(=O)c1cc(NC(C)(C)C(=O)Nc2nc3ccc4[nH]ncc4c3s2)ccc1Cl
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| InChI |
InChI=1S/C22H22ClN5O3S/c1-11(2)31-19(29)13-9-12(5-6-15(13)23)27-22(3,4)20(30)26-21-25-17-8-7-16-14(10-24-28-16)18(17)32-21/h5-11,27H,1-4H3,(H,24,28)(H,25,26,30)
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| InChIKey |
SBPABOCHTJHRHL-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