General Information of the Compound
| Compound ID |
CP0877470
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| Compound Name |
1-Benzenesulfonyl-3-(S)-1-pyrrolidin-2-ylmethyl-1H-indole oxalic acid
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| Structure |
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| Formula |
C21H22N2O6S
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| Molecular Weight |
430.482
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| Canonical SMILES |
O=C(O)C(=O)O.O=S(=O)(c1ccccc1)n1cc(C[C@@H]2CCCN2)c2ccccc21
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| InChI |
InChI=1S/C19H20N2O2S.C2H2O4/c22-24(23,17-8-2-1-3-9-17)21-14-15(13-16-7-6-12-20-16)18-10-4-5-11-19(18)21;3-1(4)2(5)6/h1-5,8-11,14,16,20H,6-7,12-13H2;(H,3,4)(H,5,6)/t16-;/m0./s1
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| InChIKey |
JZNFNNGWODHPDJ-NTISSMGPSA-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