General Information of the Compound
| Compound ID |
CP0570108
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| Compound Name |
(3R)-N-[4-[[2-[4-chloro-2-(1,1-difluoroethyl)phenyl]-6H-thieno[2,3-e]indazol-3-yl]oxy]phenyl]-1-(3-fluoropropyl)pyrrolidin-3-amine
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| Structure |
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| Formula |
C30H28ClF3N4OS
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| Molecular Weight |
585.095
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| Canonical SMILES |
CC(F)(F)c1cc(Cl)ccc1-c1sc2c(ccc3[nH]ncc23)c1Oc1ccc(N[C@@H]2CCN(CCCF)C2)cc1
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| InChI |
InChI=1S/C30H28ClF3N4OS/c1-30(33,34)25-15-18(31)3-8-22(25)29-27(23-9-10-26-24(16-35-37-26)28(23)40-29)39-21-6-4-19(5-7-21)36-20-11-14-38(17-20)13-2-12-32/h3-10,15-16,20,36H,2,11-14,17H2,1H3,(H,35,37)/t20-/m1/s1
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| InChIKey |
YBKLKTQHVBJKFN-HXUWFJFHSA-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