General Information of the Compound
| Compound ID |
CP0921628
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| Compound Name |
3-Benzyl-1-((S)-1-methyl-pyrrolidin-2-ylmethyl)-1H-indole oxalic acid
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| Structure |
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| Formula |
C23H26N2O4
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| Molecular Weight |
394.471
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| Canonical SMILES |
CN1CCC[C@H]1Cn1cc(Cc2ccccc2)c2ccccc21.O=C(O)C(=O)O
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| InChI |
InChI=1S/C21H24N2.C2H2O4/c1-22-13-7-10-19(22)16-23-15-18(14-17-8-3-2-4-9-17)20-11-5-6-12-21(20)23;3-1(4)2(5)6/h2-6,8-9,11-12,15,19H,7,10,13-14,16H2,1H3;(H,3,4)(H,5,6)/t19-;/m0./s1
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| InChIKey |
STIGRNOVZGJGCF-FYZYNONXSA-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