General Information of the Compound
| Compound ID |
CP0920350
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| Compound Name |
N-(2-(pyridin-2-yl)ethyl)-2-(2-(3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl)acetamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
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| Structure |
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| Formula |
C26H28F3N5O2S
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| Molecular Weight |
531.604
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| Canonical SMILES |
O=C(Cn1nc(C(F)(F)F)c2c1CCCC2)Nc1sc2c(c1C(=O)NCCc1ccccn1)CCCC2
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| InChI |
InChI=1S/C26H28F3N5O2S/c27-26(28,29)23-17-8-1-3-10-19(17)34(33-23)15-21(35)32-25-22(18-9-2-4-11-20(18)37-25)24(36)31-14-12-16-7-5-6-13-30-16/h5-7,13H,1-4,8-12,14-15H2,(H,31,36)(H,32,35)
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| InChIKey |
CGPJYOGXZXFFNV-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