General Information of the Compound
| Compound ID |
CP0869709
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| Compound Name |
(R)-N-[2-(2-(1H-Indol-3-yl)-1-(4-(4-methoxybenzyl)-5-(2-morpholinoethyl)-4H-1,2,4-triazol-3-yl)ethylamino)-2-oxoethyl]-2-cyano-3-(4-hydroxyphenyl)acrylamide
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| Formula |
C38H40N8O5
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| Molecular Weight |
688.789
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| Canonical SMILES |
COc1ccc(Cn2c(CCN3CCOCC3)nnc2[C@@H](Cc2c[nH]c3ccccc23)NC(=O)CNC(=O)/C(C#N)=C/c2ccc(O)cc2)cc1
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| InChI |
InChI=1S/C38H40N8O5/c1-50-31-12-8-27(9-13-31)25-46-35(14-15-45-16-18-51-19-17-45)43-44-37(46)34(21-29-23-40-33-5-3-2-4-32(29)33)42-36(48)24-41-38(49)28(22-39)20-26-6-10-30(47)11-7-26/h2-13,20,23,34,40,47H,14-19,21,24-25H2,1H3,(H,41,49)(H,42,48)/b28-20+/t34-/m1/s1
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| InChIKey |
STJDKFKTIDOTDD-TYHBVVQBSA-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