General Information of the Compound
| Compound ID |
CP0579120
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| Compound Name |
2-amino-N-cyclopropyl-5-[2-[(1S)-1-cyclopropyl-2,2,2-trifluoroethyl]-7-(methanesulfonamido)-1-oxo-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
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| Structure |
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| Formula |
C24H24F3N7O4S
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| Molecular Weight |
563.562
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| Canonical SMILES |
CS(=O)(=O)Nc1cc(cc2CN([C@@H](C3CC3)C(F)(F)F)C(=O)c12)-c1ccn2nc(N)c(C(=O)NC3CC3)c2n1
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| InChI |
InChI=1S/C24H24F3N7O4S/c1-39(37,38)32-16-9-12(8-13-10-33(23(36)17(13)16)19(11-2-3-11)24(25,26)27)15-6-7-34-21(30-15)18(20(28)31-34)22(35)29-14-4-5-14/h6-9,11,14,19,32H,2-5,10H2,1H3,(H2,28,31)(H,29,35)/t19-/m0/s1
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| InChIKey |
KMDCSCOBIXDWRO-IBGZPJMESA-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