General Information of the Compound
| Compound ID |
CP0913177
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| Compound Name |
6-((6S,8R)-7-(2,2-Difluoroethyl)-8-methyl-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 |
C24H29F3N6
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| Molecular Weight |
458.532
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| Canonical SMILES |
C[C@@H]1Cc2c(ccc3[nH]ncc23)[C@@H](c2ccc(NC3CN(CCCF)C3)cn2)N1CC(F)F
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| InChI |
InChI=1S/C24H29F3N6/c1-15-9-19-18(4-6-21-20(19)11-29-31-21)24(33(15)14-23(26)27)22-5-3-16(10-28-22)30-17-12-32(13-17)8-2-7-25/h3-6,10-11,15,17,23-24,30H,2,7-9,12-14H2,1H3,(H,29,31)/t15-,24+/m1/s1
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| InChIKey |
LCCYGLSQPCXNFG-MYYSRTQBSA-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