General Information of the Compound
| Compound ID |
CP0439499
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| Compound Name |
(R)-N-(1-(5-(2-(1H-indol-3-yl)ethyl)-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 |
C37H37N7O
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| Molecular Weight |
595.751
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| Canonical SMILES |
CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(CCc2c[nH]c3ccccc23)n1Cc1cccc2ccccc12
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| InChI |
InChI=1S/C37H37N7O/c1-37(2,38)36(45)41-33(20-27-22-40-32-17-8-6-15-30(27)32)35-43-42-34(19-18-25-21-39-31-16-7-5-14-29(25)31)44(35)23-26-12-9-11-24-10-3-4-13-28(24)26/h3-17,21-22,33,39-40H,18-20,23,38H2,1-2H3,(H,41,45)/t33-/m1/s1
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| InChIKey |
BYQZIQGTLPDDKE-MGBGTMOVSA-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