General Information of the Compound
| Compound ID |
CP0910550
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| Compound Name |
(R)-N-((R)-1-(4-(4-ethylbenzyl)-5-phenethyl-4,5-dihydro-1H-1,2,4-triazol-3-yl)-2-(1H-indol-3-yl)ethyl)piperidine-2-carboxamide
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| Structure |
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| Formula |
C35H42N6O
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| Molecular Weight |
562.762
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| Canonical SMILES |
CCc1ccc(CN2C([C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@H]3CCCCN3)=NNC2CCc2ccccc2)cc1
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| InChI |
InChI=1S/C35H42N6O/c1-2-25-15-17-27(18-16-25)24-41-33(20-19-26-10-4-3-5-11-26)39-40-34(41)32(38-35(42)31-14-8-9-21-36-31)22-28-23-37-30-13-7-6-12-29(28)30/h3-7,10-13,15-18,23,31-33,36-37,39H,2,8-9,14,19-22,24H2,1H3,(H,38,42)/t31-,32-,33?/m1/s1
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| InChIKey |
CIWCIWKIJLDSKT-NWBPNMJXSA-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