General Information of the Compound
| Compound ID |
CP0378681
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| Compound Name |
1-acetyl-N-(3-chloro-4-methylphenyl)-N-[3-[(1S,4S)-5-[(4-fluorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]propyl]piperidine-4-carboxamide
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| Structure |
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| Formula |
C30H38ClFN4O2
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| Molecular Weight |
541.111
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| Canonical SMILES |
CC(=O)N1CCC(CC1)C(=O)N(CCCN1C[C@@H]2C[C@H]1CN2Cc1ccc(F)cc1)c1ccc(C)c(Cl)c1
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| InChI |
InChI=1S/C30H38ClFN4O2/c1-21-4-9-26(17-29(21)31)36(30(38)24-10-14-33(15-11-24)22(2)37)13-3-12-34-19-28-16-27(34)20-35(28)18-23-5-7-25(32)8-6-23/h4-9,17,24,27-28H,3,10-16,18-20H2,1-2H3/t27-,28-/m0/s1
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| InChIKey |
UAGFQQUWGUKWFT-NSOVKSMOSA-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