General Information of the Compound
| Compound ID |
CP0890891
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| Compound Name |
(S)-N-((R)-1-(4-(4-ethylbenzyl)-5-phenethyl-4,5-dihydro-1H-1,2,4-triazol-3-yl)-2-(1H-indol-3-yl)ethyl)pyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C34H40N6O
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| Molecular Weight |
548.735
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| Canonical SMILES |
CCc1ccc(CN2C([C@@H](Cc3c[nH]c4ccccc34)NC(=O)[C@@H]3CCCN3)=NNC2CCc2ccccc2)cc1
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| InChI |
InChI=1S/C34H40N6O/c1-2-24-14-16-26(17-15-24)23-40-32(19-18-25-9-4-3-5-10-25)38-39-33(40)31(37-34(41)30-13-8-20-35-30)21-27-22-36-29-12-7-6-11-28(27)29/h3-7,9-12,14-17,22,30-32,35-36,38H,2,8,13,18-21,23H2,1H3,(H,37,41)/t30-,31+,32?/m0/s1
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| InChIKey |
XLMFICPNJSXKBQ-JGIBFQFJSA-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