General Information of the Compound
| Compound ID |
CP0575578
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| Compound Name |
2-amino-N-cyclopropyl-5-[2-[(1S)-1-cyclopropylethyl]-7-(methylsulfamoyl)-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
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| Structure |
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| Formula |
C24H27N7O4S
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| Molecular Weight |
509.592
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| Canonical SMILES |
CNS(=O)(=O)c1cc(cc2CN([C@@H](C)C3CC3)C(=O)c12)-c1ccn2nc(N)c(C(=O)NC3CC3)c2n1
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| InChI |
InChI=1S/C24H27N7O4S/c1-12(13-3-4-13)30-11-15-9-14(10-18(19(15)24(30)33)36(34,35)26-2)17-7-8-31-22(28-17)20(21(25)29-31)23(32)27-16-5-6-16/h7-10,12-13,16,26H,3-6,11H2,1-2H3,(H2,25,29)(H,27,32)/t12-/m0/s1
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| InChIKey |
OTEFYBXDEPQQEM-LBPRGKRZSA-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