General Information of the Compound
| Compound ID |
CP0955474
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| Compound Name |
3-(4-fluorophenyl)-1-methyl-N-[(1R)-1-[4-({[(1-methylpiperidin-4-yl)oxy]carbamoyl}methanesulfonyl)phenyl]ethyl]-1H-pyrazole-5-carboxamide
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| Structure |
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| Formula |
C27H32FN5O5S
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| Molecular Weight |
557.648
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| Canonical SMILES |
C[C@@H](NC(=O)c1cc(-c2ccc(F)cc2)nn1C)c1ccc(S(=O)(=O)CC(=O)NOC2CCN(C)CC2)cc1
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| InChI |
InChI=1S/C27H32FN5O5S/c1-18(29-27(35)25-16-24(30-33(25)3)20-4-8-21(28)9-5-20)19-6-10-23(11-7-19)39(36,37)17-26(34)31-38-22-12-14-32(2)15-13-22/h4-11,16,18,22H,12-15,17H2,1-3H3,(H,29,35)(H,31,34)/t18-/m1/s1
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| InChIKey |
ROMAQTJAZDMSBK-GOSISDBHSA-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