General Information of the Compound
| Compound ID |
CP0056527
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| Compound Name |
N-[(2S)-1-[[1-(4-cyanophenyl)indazol-4-yl]amino]propan-2-yl]-1-cyclopentyl-3,5-dimethylpyrazole-4-sulfonamide
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| Structure |
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| Formula |
C27H31N7O2S
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| Molecular Weight |
517.659
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| Canonical SMILES |
C[C@@H](CNc1cccc2n(ncc12)-c1ccc(cc1)C#N)NS(=O)(=O)c1c(C)nn(C2CCCC2)c1C
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| InChI |
InChI=1S/C27H31N7O2S/c1-18(32-37(35,36)27-19(2)31-33(20(27)3)22-7-4-5-8-22)16-29-25-9-6-10-26-24(25)17-30-34(26)23-13-11-21(15-28)12-14-23/h6,9-14,17-18,22,29,32H,4-5,7-8,16H2,1-3H3/t18-/m0/s1
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| InChIKey |
MKMJTAAVJXMHJQ-SFHVURJKSA-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