General Information of the Compound
| Compound ID |
CP0443622
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| Compound Name |
(R)-(4-(4-fluorobenzyl)-8-oxo-2-phenethyl-2,4,5,6,7,8-hexahydropyrazolo[4,3-e][1,4]diazepin-6-yl)methyl isoquinoline-5-carboxylate
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| Structure |
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| Formula |
C32H28FN5O3
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| Molecular Weight |
549.606
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| Canonical SMILES |
Fc1ccc(CN2C[C@H](COC(=O)c3cccc4cnccc34)NC(=O)c3nn(CCc4ccccc4)cc23)cc1
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| InChI |
InChI=1S/C32H28FN5O3/c33-25-11-9-23(10-12-25)18-37-19-26(21-41-32(40)28-8-4-7-24-17-34-15-13-27(24)28)35-31(39)30-29(37)20-38(36-30)16-14-22-5-2-1-3-6-22/h1-13,15,17,20,26H,14,16,18-19,21H2,(H,35,39)/t26-/m1/s1
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| InChIKey |
GTNXRZUPMLDYBU-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