General Information of the Compound
| Compound ID |
CP0953360
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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-(dimethylamino)acetamide
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| Formula |
C32H36N6O2
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| Molecular Weight |
536.68
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| Canonical SMILES |
COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CN(C)C)cc1
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| InChI |
InChI=1S/C32H36N6O2/c1-37(2)22-31(39)34-29(19-25-20-33-28-12-8-7-11-27(25)28)32-36-35-30(18-15-23-9-5-4-6-10-23)38(32)21-24-13-16-26(40-3)17-14-24/h4-14,16-17,20,29,33H,15,18-19,21-22H2,1-3H3,(H,34,39)/t29-/m1/s1
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| InChIKey |
DTEKTNCRZJGQQN-GDLZYMKVSA-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