General Information of the Compound
| Compound ID |
CP0534843
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| Compound Name |
(6S)-3-[(4S)-4-cyano-2-oxopyrrolidin-1-yl]-6-cyclopropyl-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
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| Structure |
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| Formula |
C21H19F3N6O2
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| Molecular Weight |
444.417
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| Canonical SMILES |
Fc1cc(NC(=O)N2Cc3c(cnn3C[C@@H]2C2CC2)N2C[C@H](CC2=O)C#N)cc(F)c1F
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| InChI |
InChI=1S/C21H19F3N6O2/c22-14-4-13(5-15(23)20(14)24)27-21(32)29-9-18-16(28-8-11(6-25)3-19(28)31)7-26-30(18)10-17(29)12-1-2-12/h4-5,7,11-12,17H,1-3,8-10H2,(H,27,32)/t11-,17-/m1/s1
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| InChIKey |
JYPUPZWANCHOCX-PIGZYNQJSA-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