General Information of the Compound
| Compound ID |
CP0911489
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| Compound Name |
3-Fluoro-N-(2-(4-((6S,8R)-7-((1-fluorocyclopropyl)methyl)-8-methyl-6,7,8,9-tetrahydro-3H-pyrazolo[4,3-f]isoquinolin-6-yl)-3-methoxyphenoxy)ethyl)propan-1-amine
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| Formula |
C27H34F2N4O2
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| Molecular Weight |
484.591
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| Canonical SMILES |
COc1cc(OCCNCCCF)ccc1[C@@H]1c2ccc3[nH]ncc3c2C[C@@H](C)N1CC1(F)CC1
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| InChI |
InChI=1S/C27H34F2N4O2/c1-18-14-22-20(6-7-24-23(22)16-31-32-24)26(33(18)17-27(29)8-9-27)21-5-4-19(15-25(21)34-2)35-13-12-30-11-3-10-28/h4-7,15-16,18,26,30H,3,8-14,17H2,1-2H3,(H,31,32)/t18-,26+/m1/s1
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| InChIKey |
HLXXBNRPTGQHBZ-DWXRJYCRSA-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