General Information of the Compound
| Compound ID |
CP0459859
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| Compound Name |
(R)-N-((5-(2-(1H-indol-3-yl)ethyl)-4-(4-methoxybenzyl)-4H-1,2,4-triazol-3-yl)(1H-indol-3-yl)methyl)picolinamide
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| Structure |
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| Formula |
C35H31N7O2
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| Molecular Weight |
581.68
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| Canonical SMILES |
COc1ccc(Cn2c(CCc3c[nH]c4ccccc34)nnc2[C@H](NC(=O)c2ccccn2)c2c[nH]c3ccccc23)cc1
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| InChI |
InChI=1S/C35H31N7O2/c1-44-25-16-13-23(14-17-25)22-42-32(18-15-24-20-37-29-10-4-2-8-26(24)29)40-41-34(42)33(39-35(43)31-12-6-7-19-36-31)28-21-38-30-11-5-3-9-27(28)30/h2-14,16-17,19-21,33,37-38H,15,18,22H2,1H3,(H,39,43)/t33-/m1/s1
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| InChIKey |
VLUCLEMHBAEFEC-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