General Information of the Compound
| Compound ID |
CP0901778
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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]-1-(4-cyano-2-methyloxazol-5-yl)piperidine-4-carboxamide
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| Formula |
C41H43N9O4
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| Molecular Weight |
725.854
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| Canonical SMILES |
COc1ccc(Cn2c(CCc3ccccc3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)C2CCN(c3oc(C)nc3C#N)CC2)cc1
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| InChI |
InChI=1S/C41H43N9O4/c1-27-45-36(23-42)41(54-27)49-20-18-30(19-21-49)40(52)44-25-38(51)46-35(22-31-24-43-34-11-7-6-10-33(31)34)39-48-47-37(17-14-28-8-4-3-5-9-28)50(39)26-29-12-15-32(53-2)16-13-29/h3-13,15-16,24,30,35,43H,14,17-22,25-26H2,1-2H3,(H,44,52)(H,46,51)/t35-/m1/s1
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| InChIKey |
HIFRVQKIYMYVQE-PGUFJCEWSA-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