General Information of the Compound
| Compound ID |
CP0475202
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| Compound Name |
(R)-N-(1-(4-(2-(1H-indol-3-yl)ethyl)-4H-1,2,4-triazol-3-yl)-2-(1H-indol-3-yl)ethyl)-2-amino-2-methylpropanamide
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| Structure |
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| Formula |
C26H29N7O
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| Molecular Weight |
455.566
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| Canonical SMILES |
CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nncn1CCc1c[nH]c2ccccc12
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| InChI |
InChI=1S/C26H29N7O/c1-26(2,27)25(34)31-23(13-18-15-29-22-10-6-4-8-20(18)22)24-32-30-16-33(24)12-11-17-14-28-21-9-5-3-7-19(17)21/h3-10,14-16,23,28-29H,11-13,27H2,1-2H3,(H,31,34)/t23-/m1/s1
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| InChIKey |
FIIGFCHOLCYSCT-HSZRJFAPSA-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