General Information of the Compound
| Compound ID |
CP0570342
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| Compound Name |
2-[4-chloro-2-(1,1-difluoroethyl)phenyl]-3-[4-[[(2R)-1-(3-fluoropropyl)pyrrolidin-2-yl]methoxy]phenoxy]-6H-thieno[2,3-e]indazole
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| Structure |
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| Formula |
C31H29ClF3N3O2S
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| Molecular Weight |
600.106
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| Canonical SMILES |
CC(F)(F)c1cc(Cl)ccc1-c1sc2c(ccc3[nH]ncc23)c1Oc1ccc(OC[C@H]2CCCN2CCCF)cc1
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| InChI |
InChI=1S/C31H29ClF3N3O2S/c1-31(34,35)26-16-19(32)5-10-23(26)30-28(24-11-12-27-25(17-36-37-27)29(24)41-30)40-22-8-6-21(7-9-22)39-18-20-4-2-14-38(20)15-3-13-33/h5-12,16-17,20H,2-4,13-15,18H2,1H3,(H,36,37)/t20-/m1/s1
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| InChIKey |
BRBWPMAASSKPDM-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