General Information of the Compound
| Compound ID |
CP0436680
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| Compound Name |
methyl (3S,3'R,5'S)-5-fluoro-5'-(2-methylpropyl)-1'-(1-methylpyrazole-3-carbonyl)-2-oxospiro[1H-indole-3,2'-pyrrolidine]-3'-carboxylate
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| Structure |
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| Formula |
C22H25FN4O4
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| Molecular Weight |
428.464
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| Canonical SMILES |
COC(=O)[C@@H]1C[C@H](CC(C)C)N(C(=O)c2ccn(C)n2)[C@@]11C(=O)Nc2ccc(F)cc12
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| InChI |
InChI=1S/C22H25FN4O4/c1-12(2)9-14-11-16(20(29)31-4)22(27(14)19(28)18-7-8-26(3)25-18)15-10-13(23)5-6-17(15)24-21(22)30/h5-8,10,12,14,16H,9,11H2,1-4H3,(H,24,30)/t14-,16-,22+/m0/s1
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| InChIKey |
ACEIYKHZYVKPKO-KHJUTWJGSA-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