General Information of the Compound
| Compound ID |
CP0575579
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| Compound Name |
2-amino-N-[(1R)-1-cyclopropyl-2-hydroxyethyl]-5-[7-(methanesulfonamido)-1-oxo-2-[(2S)-1,1,1-trifluoropropan-2-yl]-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
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| Structure |
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| Formula |
C24H26F3N7O5S
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| Molecular Weight |
581.577
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| Canonical SMILES |
C[C@H](N1Cc2cc(cc(NS(C)(=O)=O)c2C1=O)-c1ccn2nc(N)c(C(=O)N[C@@H](CO)C3CC3)c2n1)C(F)(F)F
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| InChI |
InChI=1S/C24H26F3N7O5S/c1-11(24(25,26)27)33-9-14-7-13(8-16(18(14)23(33)37)32-40(2,38)39)15-5-6-34-21(29-15)19(20(28)31-34)22(36)30-17(10-35)12-3-4-12/h5-8,11-12,17,32,35H,3-4,9-10H2,1-2H3,(H2,28,31)(H,30,36)/t11-,17-/m0/s1
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| InChIKey |
AWROBCBHWLXJPJ-GTNSWQLSSA-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