General Information of the Compound
| Compound ID |
CP0484747
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| Compound Name |
(E)-3-[4-[(6R)-7-(2-methylpropyl)-3,6,8,9-tetrahydropyrazolo[4,3-f]isoquinolin-6-yl]phenyl]prop-2-enoic acid
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| Structure |
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| Formula |
C23H25N3O2
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| Molecular Weight |
375.472
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| Canonical SMILES |
CC(C)CN1CCc2c(ccc3[nH]ncc23)[C@H]1c1ccc(\C=C\C(O)=O)cc1
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| InChI |
InChI=1S/C23H25N3O2/c1-15(2)14-26-12-11-18-19(8-9-21-20(18)13-24-25-21)23(26)17-6-3-16(4-7-17)5-10-22(27)28/h3-10,13,15,23H,11-12,14H2,1-2H3,(H,24,25)(H,27,28)/b10-5+/t23-/m1/s1
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| InChIKey |
RCBNCCPONMMSJD-HAOIVFDCSA-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