General Information of the Compound
| Compound ID |
CP0095306
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| Compound Name |
1-(1-(3-(3-(3-(2-(4-methylpiperidin-1-yl)ethylthio)-4-(trifluoromethyl)phenyl)-5-(methylsulfonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-1-yl)propyl)piperidin-4-yl)pyrrolidin-2-one
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| Structure |
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| Formula |
C34H49F3N6O3S2
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| Molecular Weight |
710.933
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| Canonical SMILES |
CC1CCN(CCSc2cc(ccc2C(F)(F)F)-c2nn(CCCN3CCC(CC3)N3CCCC3=O)c3CCN(Cc23)S(C)(=O)=O)CC1
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| InChI |
InChI=1S/C34H49F3N6O3S2/c1-25-8-16-40(17-9-25)21-22-47-31-23-26(6-7-29(31)34(35,36)37)33-28-24-41(48(2,45)46)20-12-30(28)43(38-33)15-4-13-39-18-10-27(11-19-39)42-14-3-5-32(42)44/h6-7,23,25,27H,3-5,8-22,24H2,1-2H3
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| InChIKey |
UYBBAEBLFCGVOT-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