General Information of the Compound
| Compound ID |
CP0372220
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| Compound Name |
2,4-dichloro-N-((3-(cyclopropylmethyl)-1-(1-methyl-1H-1,2,3-triazol-4-ylsulfonyl)azetidin-3-yl)methyl)benzamide
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| Structure |
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| Formula |
C18H21Cl2N5O3S
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| Molecular Weight |
458.371
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| Canonical SMILES |
Cn1cc(nn1)S(=O)(=O)N1CC(CNC(=O)c2ccc(Cl)cc2Cl)(CC2CC2)C1
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| InChI |
InChI=1S/C18H21Cl2N5O3S/c1-24-8-16(22-23-24)29(27,28)25-10-18(11-25,7-12-2-3-12)9-21-17(26)14-5-4-13(19)6-15(14)20/h4-6,8,12H,2-3,7,9-11H2,1H3,(H,21,26)
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| InChIKey |
IYNMTJSUKWRHRL-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