General Information of the Compound
| Compound ID |
CP0486544
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| Compound Name |
(3aS,6aS)-1-(4-(2,5-difluorophenyl)pyrimidin-2-yl)-octahydropyrrolo[3,4-b]pyrrole
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| Structure |
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| Formula |
C16H16F2N4
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| Molecular Weight |
302.328
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| Canonical SMILES |
Fc1ccc(F)c(c1)-c1ccnc(n1)N1CC[C@H]2CNC[C@@H]12
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| InChI |
InChI=1S/C16H16F2N4/c17-11-1-2-13(18)12(7-11)14-3-5-20-16(21-14)22-6-4-10-8-19-9-15(10)22/h1-3,5,7,10,15,19H,4,6,8-9H2/t10-,15+/m0/s1
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| InChIKey |
ORZQOLDNMLDGRD-ZUZCIYMTSA-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