General Information of the Compound
| Compound ID |
CP0568965
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| Compound Name |
6-amino-3-[(3R,3'S)-4-chloro-3'-hydroxyspiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,1'-cyclopentane]-5-yl]-2-fluoro-N,N-dimethylbenzamide
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| Structure |
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| Formula |
C20H22ClFN4O2
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| Molecular Weight |
404.873
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| Canonical SMILES |
CN(C)C(=O)c1c(N)ccc(c1F)-c1cnc2NC[C@@]3(CC[C@H](O)C3)c2c1Cl
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| InChI |
InChI=1S/C20H22ClFN4O2/c1-26(2)19(28)14-13(23)4-3-11(17(14)22)12-8-24-18-15(16(12)21)20(9-25-18)6-5-10(27)7-20/h3-4,8,10,27H,5-7,9,23H2,1-2H3,(H,24,25)/t10-,20-/m0/s1
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| InChIKey |
PUEWEJKMMMXQTR-FVINQWEUSA-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