General Information of the Compound
| Compound ID |
CP0906075
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| Compound Name |
N-((R)-1-(4-(4-methoxybenzyl)-5-phenethyl-4,5-dihydro-1H-1,2,4-triazol-3-yl)-2-(1H-indol-3-yl)ethyl)cyclohexanecarboxamide
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| Structure |
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| Formula |
C35H41N5O2
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| Molecular Weight |
563.746
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| Canonical SMILES |
COc1ccc(CN2C([C@@H](Cc3c[nH]c4ccccc34)NC(=O)C3CCCCC3)=NNC2CCc2ccccc2)cc1
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| InChI |
InChI=1S/C35H41N5O2/c1-42-29-19-16-26(17-20-29)24-40-33(21-18-25-10-4-2-5-11-25)38-39-34(40)32(37-35(41)27-12-6-3-7-13-27)22-28-23-36-31-15-9-8-14-30(28)31/h2,4-5,8-11,14-17,19-20,23,27,32-33,36,38H,3,6-7,12-13,18,21-22,24H2,1H3,(H,37,41)/t32-,33?/m1/s1
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| InChIKey |
NNNOVEHSZCHHEF-KWRHIPAJSA-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