General Information of the Compound
| Compound ID |
CP0911483
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| Compound Name |
N-((S)-1-(3-Fluoropropyl)pyrrolidin-3-yl)-N-methyl-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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| Formula |
C26H32F4N6
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| Molecular Weight |
504.576
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| Canonical SMILES |
C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@@H](c2ccc(N(C)[C@H]3CCN(CCCF)C3)cn2)N1CC(F)(F)F
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| InChI |
InChI=1S/C26H32F4N6/c1-17-12-21-20(5-7-23-22(21)14-32-33-23)25(36(17)16-26(28,29)30)24-6-4-18(13-31-24)34(2)19-8-11-35(15-19)10-3-9-27/h4-7,13-14,17,19,25H,3,8-12,15-16H2,1-2H3,(H,32,33)/t17-,19+,25+/m1/s1
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| InChIKey |
KTRMJKQOUKCMMD-MIAKESKMSA-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