General Information of the Compound
| Compound ID |
CP0403501
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| Compound Name |
Benzyl-[(3R,5R)-5-(5-imidazol-1-yl-1H-indol-3-ylmethyl)-1-methyl-pyrrolidin-3-ylmethyl]-methyl-amine
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| Structure |
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| Formula |
C26H31N5
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| Molecular Weight |
413.569
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| Canonical SMILES |
CN(C[C@H]1C[C@H](Cc2c[nH]c3ccc(cc23)-n2ccnc2)N(C)C1)Cc1ccccc1
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| InChI |
InChI=1S/C26H31N5/c1-29(16-20-6-4-3-5-7-20)17-21-12-24(30(2)18-21)13-22-15-28-26-9-8-23(14-25(22)26)31-11-10-27-19-31/h3-11,14-15,19,21,24,28H,12-13,16-18H2,1-2H3/t21-,24-/m1/s1
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| InChIKey |
ZXOAWPAKYYSNFI-ZJSXRUAMSA-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