General Information of the Compound
| Compound ID |
CP0568790
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| Compound Name |
(1'S,3R)-5-[4-amino-3-(dimethylcarbamoyl)-2-fluorophenyl]-4-chlorospiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,3'-cyclopentane]-1'-carboxamide
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| Structure |
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| Formula |
C21H23ClFN5O2
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| Molecular Weight |
431.899
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| Canonical SMILES |
CN(C)C(=O)c1c(N)ccc(c1F)-c1cnc2NC[C@@]3(CC[C@@H](C3)C(N)=O)c2c1Cl
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| InChI |
InChI=1S/C21H23ClFN5O2/c1-28(2)20(30)14-13(24)4-3-11(17(14)23)12-8-26-19-15(16(12)22)21(9-27-19)6-5-10(7-21)18(25)29/h3-4,8,10H,5-7,9,24H2,1-2H3,(H2,25,29)(H,26,27)/t10-,21-/m0/s1
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| InChIKey |
PXARNQRUUMJVFN-CWKPULSASA-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