General Information of the Compound
| Compound ID |
CP0498889
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| Compound Name |
(R)-(4-(4-nitrobenzyl)-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 |
C32H30N6O5
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| Molecular Weight |
578.629
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| Canonical SMILES |
Cn1cc(C(=O)OC[C@H]2CN(Cc3ccc(cc3)[N+]([O-])=O)c3cn(CCc4ccccc4)nc3C(=O)N2)c2ccccc12
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| InChI |
InChI=1S/C32H30N6O5/c1-35-19-27(26-9-5-6-10-28(26)35)32(40)43-21-24-18-36(17-23-11-13-25(14-12-23)38(41)42)29-20-37(34-30(29)31(39)33-24)16-15-22-7-3-2-4-8-22/h2-14,19-20,24H,15-18,21H2,1H3,(H,33,39)/t24-/m1/s1
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| InChIKey |
RBGNXJHKDGUQME-XMMPIXPASA-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