General Information of the Compound
| Compound ID |
CP0462928
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| Compound Name |
1-(1-(3-(3-(3-(2-(4-methylpiperazin-1-yl)-2-oxoethylthio)-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 |
C33H46F3N7O4S2
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| Molecular Weight |
725.904
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| Canonical SMILES |
CN1CCN(CC1)C(=O)CSc1cc(ccc1C(F)(F)F)-c1nn(CCCN2CCC(CC2)N2CCCC2=O)c2CCN(Cc12)S(C)(=O)=O
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| InChI |
InChI=1S/C33H46F3N7O4S2/c1-38-17-19-40(20-18-38)31(45)23-48-29-21-24(6-7-27(29)33(34,35)36)32-26-22-41(49(2,46)47)16-10-28(26)43(37-32)13-4-11-39-14-8-25(9-15-39)42-12-3-5-30(42)44/h6-7,21,25H,3-5,8-20,22-23H2,1-2H3
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| InChIKey |
APAYPCUJJFQAJM-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