General Information of the Compound
| Compound ID |
CP0871674
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| Compound Name |
(S)-N-[2-((R)-2-(1H-Indol-3-yl)-1-(4-(4-methoxybenzyl)-5-phenethyl-4H-1,2,4-triazol-3-yl)ethylamino)-2-oxoethyl]-2-amino-3-(4-methoxyphenyl)propanamide
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| Formula |
C40H43N7O4
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| Molecular Weight |
685.829
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| Canonical SMILES |
COc1ccc(C[C@@H](N)C(=O)NCC(=O)N[C@H](Cc2c[nH]c3ccccc23)c2nnc(CCc3ccccc3)n2Cc2ccc(OC)cc2)cc1
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| InChI |
InChI=1S/C40H43N7O4/c1-50-31-17-12-28(13-18-31)22-34(41)40(49)43-25-38(48)44-36(23-30-24-42-35-11-7-6-10-33(30)35)39-46-45-37(21-16-27-8-4-3-5-9-27)47(39)26-29-14-19-32(51-2)20-15-29/h3-15,17-20,24,34,36,42H,16,21-23,25-26,41H2,1-2H3,(H,43,49)(H,44,48)/t34-,36-/m1/s1
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| InChIKey |
SLRRIZWTAPLQRE-QZCRLSDHSA-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