General Information of the Compound
| Compound ID |
CP0456231
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| Compound Name |
5-tert-butyl-N-[3-[(6-chloro-1,3-dioxoisoindol-5-yl)amino]phenyl]-2-methylpyrazole-3-carboxamide
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| Structure |
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| Formula |
C23H22ClN5O3
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| Molecular Weight |
451.914
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| Canonical SMILES |
Cn1nc(cc1C(=O)Nc1cccc(Nc2cc3C(=O)NC(=O)c3cc2Cl)c1)C(C)(C)C
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| InChI |
InChI=1S/C23H22ClN5O3/c1-23(2,3)19-11-18(29(4)28-19)22(32)26-13-7-5-6-12(8-13)25-17-10-15-14(9-16(17)24)20(30)27-21(15)31/h5-11,25H,1-4H3,(H,26,32)(H,27,30,31)
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| InChIKey |
SZTZVLFQNRQRKS-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