General Information of the Compound
| Compound ID |
CP0960825
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| Compound Name |
2-[[3-[5,7-difluoro-2-(4-fluorophenyl)-1H-indol-3-yl]cyclobutyl]methylamino]-3-hydroxy-propanamide
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| Formula |
C22H22F3N3O2
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| Molecular Weight |
417.431
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| Canonical SMILES |
NC(=O)C(CO)NCC1CC(c2c(-c3ccc(F)cc3)[nH]c3c(F)cc(F)cc23)C1
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| InChI |
InChI=1S/C22H22F3N3O2/c23-14-3-1-12(2-4-14)20-19(16-7-15(24)8-17(25)21(16)28-20)13-5-11(6-13)9-27-18(10-29)22(26)30/h1-4,7-8,11,13,18,27-29H,5-6,9-10H2,(H2,26,30)
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| InChIKey |
QQRRRVNZYGKTFH-UHFFFAOYSA-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