General Information of the Compound
| Compound ID |
CP0397519
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| Compound Name |
N-(1H-indol-3-ylmethyl)-4-(piperidin-1-ylmethyl)aniline
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| Structure |
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| Formula |
C21H25N3
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| Molecular Weight |
319.452
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| Canonical SMILES |
C(Nc1ccc(CN2CCCCC2)cc1)c1c[nH]c2ccccc12
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| InChI |
InChI=1S/C21H25N3/c1-4-12-24(13-5-1)16-17-8-10-19(11-9-17)22-14-18-15-23-21-7-3-2-6-20(18)21/h2-3,6-11,15,22-23H,1,4-5,12-14,16H2
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| InChIKey |
VBJOSZDTDPMAPQ-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