General Information of the Compound
| Compound ID |
CP0446384
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| Compound Name |
1-(3-Chloro-benzenesulfonyl)-3-(S)-1-pyrrolidin-2-ylmethyl-1H-indole
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| Structure |
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| Formula |
C19H19ClN2O2S
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| Molecular Weight |
374.893
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| Canonical SMILES |
Clc1cccc(c1)S(=O)(=O)n1cc(C[C@@H]2CCCN2)c2ccccc12
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| InChI |
InChI=1S/C19H19ClN2O2S/c20-15-5-3-7-17(12-15)25(23,24)22-13-14(11-16-6-4-10-21-16)18-8-1-2-9-19(18)22/h1-3,5,7-9,12-13,16,21H,4,6,10-11H2/t16-/m0/s1
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| InChIKey |
IIOWDIVGDZDQHO-INIZCTEOSA-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