General Information of the Compound
| Compound ID |
CP0478718
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| Compound Name |
1-(3-methylbut-2-enyl)-3-(piperidin-1-ylmethyl)-5-m-tolyl-1H-indole
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| Structure |
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| Formula |
C26H32N2
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| Molecular Weight |
372.556
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| Canonical SMILES |
CC(C)=CCn1cc(CN2CCCCC2)c2cc(ccc12)-c1cccc(C)c1
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| InChI |
InChI=1S/C26H32N2/c1-20(2)12-15-28-19-24(18-27-13-5-4-6-14-27)25-17-23(10-11-26(25)28)22-9-7-8-21(3)16-22/h7-12,16-17,19H,4-6,13-15,18H2,1-3H3
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| InChIKey |
NFFTYRXJQSIFNG-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