General Information of the Compound
| Compound ID |
CP0875559
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| Compound Name |
(R)-N-[2-(1H-Indol-3-yl)-1-(4-(4-methoxybenzyl)-5-phenethyl-4H-1,2,4-triazol-3-yl)ethyl]-2-(diethylamino)acetamide
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| Formula |
C34H40N6O2
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| Molecular Weight |
564.734
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| Canonical SMILES |
CCN(CC)CC(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2ccccc2)n1Cc1ccc(OC)cc1
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| InChI |
InChI=1S/C34H40N6O2/c1-4-39(5-2)24-33(41)36-31(21-27-22-35-30-14-10-9-13-29(27)30)34-38-37-32(20-17-25-11-7-6-8-12-25)40(34)23-26-15-18-28(42-3)19-16-26/h6-16,18-19,22,31,35H,4-5,17,20-21,23-24H2,1-3H3,(H,36,41)/t31-/m1/s1
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| InChIKey |
DDKLHCPLKMARGL-WJOKGBTCSA-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