General Information of the Compound
| Compound ID |
CP0504290
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| Compound Name |
2-[5-[1-[2-hydroxy-3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-2-(trifluoromethyl)phenyl]sulfanyl-1-pyrrolidin-1-ylethanone
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| Structure |
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| Formula |
C34H42F3N5O3S
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| Molecular Weight |
657.803
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| Canonical SMILES |
COc1ccccc1C1CCN(CC(O)Cn2nc(c3CNCCc23)-c2ccc(c(SCC(=O)N3CCCC3)c2)C(F)(F)F)CC1
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| InChI |
InChI=1S/C34H42F3N5O3S/c1-45-30-7-3-2-6-26(30)23-11-16-40(17-12-23)20-25(43)21-42-29-10-13-38-19-27(29)33(39-42)24-8-9-28(34(35,36)37)31(18-24)46-22-32(44)41-14-4-5-15-41/h2-3,6-9,18,23,25,38,43H,4-5,10-17,19-22H2,1H3
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| InChIKey |
QUUKJTUMCJOCFF-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