General Information of the Compound
| Compound ID |
CP0568781
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| Compound Name |
2-amino-5-[7-chloro-1-oxo-2-[(2S)-1,1,1-trifluoropropan-2-yl]-3H-isoindol-5-yl]-N-[(1R)-1-cyclopropyl-2-hydroxyethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
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| Structure |
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| Formula |
C23H22ClF3N6O3
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| Molecular Weight |
522.915
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| Canonical SMILES |
C[C@H](N1Cc2cc(cc(Cl)c2C1=O)-c1ccn2nc(N)c(C(=O)N[C@@H](CO)C3CC3)c2n1)C(F)(F)F
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| InChI |
InChI=1S/C23H22ClF3N6O3/c1-10(23(25,26)27)32-8-13-6-12(7-14(24)17(13)22(32)36)15-4-5-33-20(29-15)18(19(28)31-33)21(35)30-16(9-34)11-2-3-11/h4-7,10-11,16,34H,2-3,8-9H2,1H3,(H2,28,31)(H,30,35)/t10-,16-/m0/s1
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| InChIKey |
ZQHNJQVIBXSHRY-QFYYESIMSA-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