General Information of the Compound
| Compound ID |
CP0419510
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| Compound Name |
1-(4-Iodo-benzenesulfonyl)-3-(S)-1-pyrrolidin-2-ylmethyl-1H-indole
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| Structure |
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| Formula |
C19H19IN2O2S
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| Molecular Weight |
466.344
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| Canonical SMILES |
Ic1ccc(cc1)S(=O)(=O)n1cc(C[C@@H]2CCCN2)c2ccccc12
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| InChI |
InChI=1S/C19H19IN2O2S/c20-15-7-9-17(10-8-15)25(23,24)22-13-14(12-16-4-3-11-21-16)18-5-1-2-6-19(18)22/h1-2,5-10,13,16,21H,3-4,11-12H2/t16-/m0/s1
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| InChIKey |
NCQSTYPDUKFCAT-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