General Information of the Compound
| Compound ID |
CP0960826
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| Compound Name |
trans-2-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methylamino]-N-(hydroxymethyl)acetamide
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| Formula |
C22H22F3N3O2
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| Molecular Weight |
417.431
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| Canonical SMILES |
O=C(CNC[C@H]1C[C@H](c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc32)C1)NCO
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| InChI |
InChI=1S/C22H22F3N3O2/c23-15-3-1-13(2-4-15)21-20(17-7-16(24)8-18(25)22(17)28-21)14-5-12(6-14)9-26-10-19(30)27-11-29/h1-4,7-8,12,14,26,28-29H,5-6,9-11H2,(H,27,30)/t12-,14-
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| InChIKey |
ALFQJMMDLMALOC-MQMHXKEQSA-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