General Information of the Compound
| Compound ID |
CP0428146
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| Compound Name |
(R)-N-(1-(5-(3-(1H-indol-3-yl)propyl)-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 |
C33H43N7O
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| Molecular Weight |
553.755
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| Canonical SMILES |
CCCCCCn1c(CCCc2c[nH]c3ccccc23)nnc1[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)(C)N
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| InChI |
InChI=1S/C33H43N7O/c1-4-5-6-11-19-40-30(18-12-13-23-21-35-27-16-9-7-14-25(23)27)38-39-31(40)29(37-32(41)33(2,3)34)20-24-22-36-28-17-10-8-15-26(24)28/h7-10,14-17,21-22,29,35-36H,4-6,11-13,18-20,34H2,1-3H3,(H,37,41)/t29-/m1/s1
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| InChIKey |
KEKUJVBJRXHYFR-GDLZYMKVSA-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