General Information of the Compound
| Compound ID |
CP0440454
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| Compound Name |
3-[4-(3,5-Bis-trifluoromethyl-benzyl)-piperazin-2-ylmethyl]-1H-indole
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| Structure |
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| Formula |
C22H21F6N3
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| Molecular Weight |
441.419
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| Canonical SMILES |
FC(F)(F)c1cc(CN2CCNC(Cc3c[nH]c4ccccc34)C2)cc(c1)C(F)(F)F
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| InChI |
InChI=1S/C22H21F6N3/c23-21(24,25)16-7-14(8-17(10-16)22(26,27)28)12-31-6-5-29-18(13-31)9-15-11-30-20-4-2-1-3-19(15)20/h1-4,7-8,10-11,18,29-30H,5-6,9,12-13H2
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| InChIKey |
CVJXAAMXYMIAEU-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