General Information of the Compound
| Compound ID |
CP0498612
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| Compound Name |
(R)-(4-((1-methyl-1H-indol-3-yl)methyl)-8-oxo-2-phenethyl-2,4,5,6,7,8-hexahydropyrazolo[4,3-e][1,4]diazepin-6-yl)methyl 1-methyl-1H-indole-3-carboxylate
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| Structure |
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| Formula |
C35H34N6O3
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| Molecular Weight |
586.696
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| Canonical SMILES |
Cn1cc(CN2C[C@H](COC(=O)c3cn(C)c4ccccc34)NC(=O)c3nn(CCc4ccccc4)cc23)c2ccccc12
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| InChI |
InChI=1S/C35H34N6O3/c1-38-18-25(27-12-6-8-14-30(27)38)19-40-20-26(23-44-35(43)29-21-39(2)31-15-9-7-13-28(29)31)36-34(42)33-32(40)22-41(37-33)17-16-24-10-4-3-5-11-24/h3-15,18,21-22,26H,16-17,19-20,23H2,1-2H3,(H,36,42)/t26-/m1/s1
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| InChIKey |
BVRFZEYZVLZWLD-AREMUKBSSA-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