General Information of the Compound
| Compound ID |
CP0916133
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| Compound Name |
N-(1-(3-Fluoropropyl)azetidin-3-yl)-6-((6S,8R)-8-methyl-7-(2,2,2-trifluoroethyl)-6,7,8,9-tetrahydro-3H-pyrrolo[3,2-f]isoquinolin-6-yl)pyridin-3-amine
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| Structure |
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| Formula |
C25H29F4N5
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| Molecular Weight |
475.534
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| Canonical SMILES |
C[C@@H]1Cc2c(ccc3[nH]ccc23)[C@@H](c2ccc(NC3CN(CCCF)C3)cn2)N1CC(F)(F)F
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| InChI |
InChI=1S/C25H29F4N5/c1-16-11-21-19-7-9-30-22(19)6-4-20(21)24(34(16)15-25(27,28)29)23-5-3-17(12-31-23)32-18-13-33(14-18)10-2-8-26/h3-7,9,12,16,18,24,30,32H,2,8,10-11,13-15H2,1H3/t16-,24+/m1/s1
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| InChIKey |
UIHRVYXBYSWELG-GYCJOSAFSA-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