General Information of the Compound
| Compound ID |
CP0527829
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| Compound Name |
6-amino-3-[(1'S,3R)-4-chloro-1'-hydroxy-1'-methylspiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,3'-cyclopentane]-5-yl]-2-fluoro-N,N-dimethylbenzamide
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| Structure |
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| Formula |
C21H24ClFN4O2
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| Molecular Weight |
418.9
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| Canonical SMILES |
CN(C)C(=O)c1c(N)ccc(c1F)-c1cnc2NC[C@@]3(CC[C@](C)(O)C3)c2c1Cl
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| InChI |
InChI=1S/C21H24ClFN4O2/c1-20(29)6-7-21(9-20)10-26-18-15(21)16(22)12(8-25-18)11-4-5-13(24)14(17(11)23)19(28)27(2)3/h4-5,8,29H,6-7,9-10,24H2,1-3H3,(H,25,26)/t20-,21-/m0/s1
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| InChIKey |
UHMMACJZVKJFLR-SFTDATJTSA-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