General Information of the Compound
| Compound ID |
CP0568142
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| Compound Name |
2-amino-N-cyclopropyl-5-[7-(methanesulfonamido)-1-oxo-2-[(2S)-1,1,1-trifluorobutan-2-yl]-3H-isoindol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
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| Structure |
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| Formula |
C23H24F3N7O4S
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| Molecular Weight |
551.551
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| Canonical SMILES |
CC[C@H](N1Cc2cc(cc(NS(C)(=O)=O)c2C1=O)-c1ccn2nc(N)c(C(=O)NC3CC3)c2n1)C(F)(F)F
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| InChI |
InChI=1S/C23H24F3N7O4S/c1-3-16(23(24,25)26)32-10-12-8-11(9-15(17(12)22(32)35)31-38(2,36)37)14-6-7-33-20(29-14)18(19(27)30-33)21(34)28-13-4-5-13/h6-9,13,16,31H,3-5,10H2,1-2H3,(H2,27,30)(H,28,34)/t16-/m0/s1
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| InChIKey |
PKKGUQHKALIMOX-INIZCTEOSA-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