General Information of the Compound
| Compound ID |
CP0635004
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| Compound Name |
4-(3-(2-methyl-1-oxo-1-(4-(trifluoromethyl)-6H-thiazolo[5,4-e]indazol-2-ylamino)propan-2-ylamino)benzamido)butanoic acid
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| Structure |
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| Formula |
C24H23F3N6O4S
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| Molecular Weight |
548.547
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| Canonical SMILES |
CC(C)(Nc1cccc(C(=O)NCCCC(=O)O)c1)C(=O)Nc1nc2c(C(F)(F)F)cc3[nH]ncc3c2s1
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| InChI |
InChI=1S/C24H23F3N6O4S/c1-23(2,32-13-6-3-5-12(9-13)20(36)28-8-4-7-17(34)35)21(37)31-22-30-18-15(24(25,26)27)10-16-14(11-29-33-16)19(18)38-22/h3,5-6,9-11,32H,4,7-8H2,1-2H3,(H,28,36)(H,29,33)(H,34,35)(H,30,31,37)
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| InChIKey |
ZFWMAWDMXORLSP-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