General Information of the Compound
| Compound ID |
CP0903483
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| Compound Name |
N-((S)-1-(3-Fluoropropyl)pyrrolidin-3-yl)-6-((6S,8R)-8-methyl-7-(2,2,2-trifluoroethyl)-6,7,8,9-tetrahydro-3H-pyrazolo[4,3-f]isoquinolin-6-yl)pyridin-3-amine
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| Structure |
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| Formula |
C25H30F4N6
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| Molecular Weight |
490.549
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| Canonical SMILES |
C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@@H](c2ccc(N[C@H]3CCN(CCCF)C3)cn2)N1CC(F)(F)F
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| InChI |
InChI=1S/C25H30F4N6/c1-16-11-20-19(4-6-22-21(20)13-31-33-22)24(35(16)15-25(27,28)29)23-5-3-17(12-30-23)32-18-7-10-34(14-18)9-2-8-26/h3-6,12-13,16,18,24,32H,2,7-11,14-15H2,1H3,(H,31,33)/t16-,18+,24+/m1/s1
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| InChIKey |
SLZOGJZVWHWZJT-YLNUKYHNSA-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