General Information of the Compound
| Compound ID |
CP0475201
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| Compound Name |
(R)-N-(1-(5-(2-(1H-indol-3-yl)ethyl)-4-hexyl-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 |
C32H41N7O
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| Molecular Weight |
539.728
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| Canonical SMILES |
CCCCCCn1c(CCc2c[nH]c3ccccc23)nnc1[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)(C)N
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| InChI |
InChI=1S/C32H41N7O/c1-4-5-6-11-18-39-29(17-16-22-20-34-26-14-9-7-12-24(22)26)37-38-30(39)28(36-31(40)32(2,3)33)19-23-21-35-27-15-10-8-13-25(23)27/h7-10,12-15,20-21,28,34-35H,4-6,11,16-19,33H2,1-3H3,(H,36,40)/t28-/m1/s1
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| InChIKey |
SYKLZSJRKKGRJA-MUUNZHRXSA-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