General Information of the Compound
| Compound ID |
CP0911486
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| Compound Name |
(S)-6-(7-(2,2-Difluoroethyl)-8,8-dimethyl-6,7,8,9-tetrahydro-3H-pyrazolo[4,3-f]isoquinolin-6-yl)-N-(1-(3-fluoropropyl)azetidin-3-yl)pyridin-3-amine
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| Structure |
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| Formula |
C25H31F3N6
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| Molecular Weight |
472.559
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| Canonical SMILES |
CC1(C)Cc2c(ccc3[nH]ncc23)[C@@H](c2ccc(NC3CN(CCCF)C3)cn2)N1CC(F)F
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| InChI |
InChI=1S/C25H31F3N6/c1-25(2)10-19-18(5-7-21-20(19)12-30-32-21)24(34(25)15-23(27)28)22-6-4-16(11-29-22)31-17-13-33(14-17)9-3-8-26/h4-7,11-12,17,23-24,31H,3,8-10,13-15H2,1-2H3,(H,30,32)/t24-/m0/s1
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| InChIKey |
NNKIFQRRDDJHKS-DEOSSOPVSA-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