General Information of the Compound
| Compound ID |
CP0388644
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| Compound Name |
[3-[[1-(2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]carbamoyl]phenyl] methanesulfonate
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| Structure |
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| Formula |
C21H24N4O4S
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| Molecular Weight |
428.514
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| Canonical SMILES |
CS(=O)(=O)Oc1cccc(c1)C(=O)Nc1nc2ccccc2n1CCN1CCCC1
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| InChI |
InChI=1S/C21H24N4O4S/c1-30(27,28)29-17-8-6-7-16(15-17)20(26)23-21-22-18-9-2-3-10-19(18)25(21)14-13-24-11-4-5-12-24/h2-3,6-10,15H,4-5,11-14H2,1H3,(H,22,23,26)
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| InChIKey |
CHHBWTRRCBETDI-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