General Information of the Compound
| Compound ID |
CP0634519
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| Compound Name |
2-(2-chloro-5-(2-methyl-1-oxo-1-(4-(trifluoromethyl)-6H-thiazolo[5,4-e]indazol-2-ylamino)propan-2-ylamino)benzamido)acetic acid
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| Structure |
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| Formula |
C22H18ClF3N6O4S
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| Molecular Weight |
554.938
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| Canonical SMILES |
CC(C)(Nc1ccc(Cl)c(C(=O)NCC(=O)O)c1)C(=O)Nc1nc2c(C(F)(F)F)cc3[nH]ncc3c2s1
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| InChI |
InChI=1S/C22H18ClF3N6O4S/c1-21(2,31-9-3-4-13(23)10(5-9)18(35)27-8-15(33)34)19(36)30-20-29-16-12(22(24,25)26)6-14-11(7-28-32-14)17(16)37-20/h3-7,31H,8H2,1-2H3,(H,27,35)(H,28,32)(H,33,34)(H,29,30,36)
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| InChIKey |
ULMMSSXMAQOVME-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
Protein ID: PT00980, Aurora kinase A
Protein ID: PT02377, Beta-adrenergic receptor kinase 1