General Information of the Compound
| Compound ID |
CP0954377
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| Compound Name |
(R)-N-[2-(2-(1H-Indol-3-yl)-1-(4-(4-methoxybenzyl)-5-phenethyl-4H-1,2,4-triazol-3-yl)ethylamino)-2-oxoethyl]acrylamide
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| Formula |
C33H34N6O3
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| Molecular Weight |
562.674
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| Canonical SMILES |
C=CC(=O)NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2ccccc2)n1Cc1ccc(OC)cc1
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| InChI |
InChI=1S/C33H34N6O3/c1-3-31(40)35-21-32(41)36-29(19-25-20-34-28-12-8-7-11-27(25)28)33-38-37-30(18-15-23-9-5-4-6-10-23)39(33)22-24-13-16-26(42-2)17-14-24/h3-14,16-17,20,29,34H,1,15,18-19,21-22H2,2H3,(H,35,40)(H,36,41)/t29-/m1/s1
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| InChIKey |
WRKMVMOHGRAEQC-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