General Information of the Compound
| Compound ID |
CP0286273
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| Compound Name |
ethyl 3-[1-[2-hydroxy-3-[5-methylsulfonyl-3-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propyl]piperidin-4-yl]-1H-indole-5-carboxylate
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| Structure |
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| Formula |
C33H38F3N5O5S
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| Molecular Weight |
673.758
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| Canonical SMILES |
CCOC(=O)c1ccc2[nH]cc(C3CCN(CC(O)Cn4nc(c5CN(CCc45)S(C)(=O)=O)-c4ccc(cc4)C(F)(F)F)CC3)c2c1
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| InChI |
InChI=1S/C33H38F3N5O5S/c1-3-46-32(43)23-6-9-29-26(16-23)27(17-37-29)21-10-13-39(14-11-21)18-25(42)19-41-30-12-15-40(47(2,44)45)20-28(30)31(38-41)22-4-7-24(8-5-22)33(34,35)36/h4-9,16-17,21,25,37,42H,3,10-15,18-20H2,1-2H3
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| InChIKey |
QLBHJVCZLIUVQG-UHFFFAOYSA-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