General Information of the Compound
| Compound ID |
CP0378583
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| Compound Name |
(R)-N-(1-(5-(3-(1H-indol-3-yl)propyl)-4-(naphthalen-1-ylmethyl)-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 |
C38H39N7O
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| Molecular Weight |
609.778
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| Canonical SMILES |
CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCCc2c[nH]c3ccccc23)n1Cc1cccc2ccccc12
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| InChI |
InChI=1S/C38H39N7O/c1-38(2,39)37(46)42-34(21-28-23-41-33-19-8-6-17-31(28)33)36-44-43-35(20-10-13-26-22-40-32-18-7-5-16-30(26)32)45(36)24-27-14-9-12-25-11-3-4-15-29(25)27/h3-9,11-12,14-19,22-23,34,40-41H,10,13,20-21,24,39H2,1-2H3,(H,42,46)/t34-/m1/s1
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| InChIKey |
SFSGLZYSWHPYBC-UUWRZZSWSA-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