General Information of the Compound
| Compound ID |
CP0430816
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| Compound Name |
1-(benzenesulfonyl)-3-[(3R)-1-[(6-fluoronaphthalen-2-yl)methyl]pyrrolidin-3-yl]urea
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| Structure |
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| Formula |
C22H22FN3O3S
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| Molecular Weight |
427.501
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| Canonical SMILES |
Fc1ccc2cc(CN3CC[C@H](C3)NC(=O)NS(=O)(=O)c3ccccc3)ccc2c1
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| InChI |
InChI=1S/C22H22FN3O3S/c23-19-9-8-17-12-16(6-7-18(17)13-19)14-26-11-10-20(15-26)24-22(27)25-30(28,29)21-4-2-1-3-5-21/h1-9,12-13,20H,10-11,14-15H2,(H2,24,25,27)/t20-/m1/s1
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| InChIKey |
MCPUMUXGLDOLFP-HXUWFJFHSA-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