General Information of the Compound
| Compound ID |
CP0039737
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| Compound Name |
5-(3-benzylpyrrolidin-3-yl)-1H-indole-2-carbonitrile
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| Structure |
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| Formula |
C20H19N3
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| Molecular Weight |
301.393
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| Canonical SMILES |
N#Cc1cc2cc(ccc2[nH]1)C1(Cc2ccccc2)CCNC1
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| InChI |
InChI=1S/C20H19N3/c21-13-18-11-16-10-17(6-7-19(16)23-18)20(8-9-22-14-20)12-15-4-2-1-3-5-15/h1-7,10-11,22-23H,8-9,12,14H2
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| InChIKey |
OSAULANLOUKVQI-UHFFFAOYSA-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