General Information of the Compound
| Compound ID |
CP0516032
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| Compound Name |
2,4-dichloro-N-[[3-(cyclopropylmethyl)-1-(2H-triazol-4-ylsulfonyl)azetidin-3-yl]methyl]benzamide
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| Structure |
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| Formula |
C17H19Cl2N5O3S
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| Molecular Weight |
444.344
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| Canonical SMILES |
Clc1ccc(C(=O)NCC2(CC3CC3)CN(C2)S(=O)(=O)c2cnn[nH]2)c(Cl)c1
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| InChI |
InChI=1S/C17H19Cl2N5O3S/c18-12-3-4-13(14(19)5-12)16(25)20-8-17(6-11-1-2-11)9-24(10-17)28(26,27)15-7-21-23-22-15/h3-5,7,11H,1-2,6,8-10H2,(H,20,25)(H,21,22,23)
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| InChIKey |
NBXFRCJXQUHYCK-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