General Information of the Compound
| Compound ID |
CP0505417
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| Compound Name |
2-amino-N-[(1R)-2-(1H-indol-3-yl)-1-[4-phenyl-5-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]ethyl]acetamide
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| Structure |
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| Formula |
C28H28N6O
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| Molecular Weight |
464.573
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| Canonical SMILES |
NCC(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2ccccc2)n1-c1ccccc1
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| InChI |
InChI=1S/C28H28N6O/c29-18-27(35)31-25(17-21-19-30-24-14-8-7-13-23(21)24)28-33-32-26(16-15-20-9-3-1-4-10-20)34(28)22-11-5-2-6-12-22/h1-14,19,25,30H,15-18,29H2,(H,31,35)/t25-/m1/s1
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| InChIKey |
MNJBFWNIEUCCFS-RUZDIDTESA-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