General Information of the Compound
| Compound ID |
CP0910877
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| Compound Name |
(R)-N-[2-(2-(1H-Indol-3-yl)-1-(4-(4-methoxybenzyl)-5-(2-(piperidin-1-yl)ethyl)-4H-1,2,4-triazol-3-yl)ethylamino)-2-oxoethyl]-2-cyano-3-(4-methoxyphenyl)acrylamide
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| Formula |
C40H44N8O4
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| Molecular Weight |
700.844
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| Canonical SMILES |
COc1ccc(/C=C(\C#N)C(=O)NCC(=O)N[C@H](Cc2c[nH]c3ccccc23)c2nnc(CCN3CCCCC3)n2Cc2ccc(OC)cc2)cc1
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| InChI |
InChI=1S/C40H44N8O4/c1-51-32-14-10-28(11-15-32)22-30(24-41)40(50)43-26-38(49)44-36(23-31-25-42-35-9-5-4-8-34(31)35)39-46-45-37(18-21-47-19-6-3-7-20-47)48(39)27-29-12-16-33(52-2)17-13-29/h4-5,8-17,22,25,36,42H,3,6-7,18-21,23,26-27H2,1-2H3,(H,43,50)(H,44,49)/b30-22+/t36-/m1/s1
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| InChIKey |
REUUNOXAPWLXIZ-YBQPEQHKSA-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