General Information of the Compound
| Compound ID |
CP0381120
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| Compound Name |
(R)-(4-(4-methylbenzyl)-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 |
C33H33N5O3
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| Molecular Weight |
547.659
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| Canonical SMILES |
Cc1ccc(CN2C[C@H](COC(=O)c3cn(C)c4ccccc34)NC(=O)c3nn(CCc4ccccc4)cc23)cc1
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| InChI |
InChI=1S/C33H33N5O3/c1-23-12-14-25(15-13-23)18-37-19-26(22-41-33(40)28-20-36(2)29-11-7-6-10-27(28)29)34-32(39)31-30(37)21-38(35-31)17-16-24-8-4-3-5-9-24/h3-15,20-21,26H,16-19,22H2,1-2H3,(H,34,39)/t26-/m1/s1
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| InChIKey |
WCVBQRGVBIDZMX-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