General Information of the Compound
| Compound ID |
CP0509842
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| Compound Name |
N-butyl-N-(cyclopropylmethyl)-3-[3,4-dichloro-N-[(4-fluorophenyl)methyl]anilino]propanamide
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| Structure |
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| Formula |
C24H29Cl2FN2O
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| Molecular Weight |
451.413
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| Canonical SMILES |
CCCCN(CC1CC1)C(=O)CCN(Cc1ccc(F)cc1)c1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C24H29Cl2FN2O/c1-2-3-13-29(17-18-4-5-18)24(30)12-14-28(16-19-6-8-20(27)9-7-19)21-10-11-22(25)23(26)15-21/h6-11,15,18H,2-5,12-14,16-17H2,1H3
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| InChIKey |
CATKSYOKTTXKFV-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