General Information of the Compound
| Compound ID |
CP0635005
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| Compound Name |
N-(3-amino-3-oxopropyl)-3-(2-methyl-1-oxo-1-(4-(trifluoromethyl)-6H-thiazolo[5,4-e]indazol-2-ylamino)propan-2-ylamino)benzamide
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| Structure |
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| Formula |
C23H22F3N7O3S
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| Molecular Weight |
533.536
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| Canonical SMILES |
CC(C)(Nc1cccc(C(=O)NCCC(N)=O)c1)C(=O)Nc1nc2c(C(F)(F)F)cc3[nH]ncc3c2s1
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| InChI |
InChI=1S/C23H22F3N7O3S/c1-22(2,32-12-5-3-4-11(8-12)19(35)28-7-6-16(27)34)20(36)31-21-30-17-14(23(24,25)26)9-15-13(10-29-33-15)18(17)37-21/h3-5,8-10,32H,6-7H2,1-2H3,(H2,27,34)(H,28,35)(H,29,33)(H,30,31,36)
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| InChIKey |
GAPTWFVBSQIGOP-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