General Information of the Compound
| Compound ID |
CP0546095
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| Compound Name |
(1'S,3R)-5-[4-amino-3-(dimethylcarbamoyl)-2-fluorophenyl]-4-chloro-N-methylspiro[1,2-dihydropyrrolo[2,3-b]pyridine-3,3'-cyclopentane]-1'-carboxamide
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| Structure |
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| Formula |
C22H25ClFN5O2
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| Molecular Weight |
445.926
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| Canonical SMILES |
CNC(=O)[C@H]1CC[C@@]2(CNc3ncc(c(Cl)c23)-c2ccc(N)c(C(=O)N(C)C)c2F)C1
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| InChI |
InChI=1S/C22H25ClFN5O2/c1-26-20(30)11-6-7-22(8-11)10-28-19-16(22)17(23)13(9-27-19)12-4-5-14(25)15(18(12)24)21(31)29(2)3/h4-5,9,11H,6-8,10,25H2,1-3H3,(H,26,30)(H,27,28)/t11-,22-/m0/s1
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| InChIKey |
LDUCKJFAEAZQCE-SAHAZLINSA-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