General Information of the Compound
| Compound ID |
CP0455289
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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 isoquinoline-5-carboxylate
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| Structure |
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| Formula |
C33H31N5O3
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| Molecular Weight |
545.643
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| Canonical SMILES |
Cc1ccc(CN2C[C@H](COC(=O)c3cccc4cnccc34)NC(=O)c3nn(CCc4ccccc4)cc23)cc1
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| InChI |
InChI=1S/C33H31N5O3/c1-23-10-12-25(13-11-23)19-37-20-27(22-41-33(40)29-9-5-8-26-18-34-16-14-28(26)29)35-32(39)31-30(37)21-38(36-31)17-15-24-6-3-2-4-7-24/h2-14,16,18,21,27H,15,17,19-20,22H2,1H3,(H,35,39)/t27-/m1/s1
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| InChIKey |
ZQALFDPTBOVJCB-HHHXNRCGSA-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