General Information of the Compound
| Compound ID |
CP0443580
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| Compound Name |
(R)-(4-benzyl-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 |
C32H31N5O3
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| Molecular Weight |
533.632
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| Canonical SMILES |
Cn1cc(C(=O)OC[C@H]2CN(Cc3ccccc3)c3cn(CCc4ccccc4)nc3C(=O)N2)c2ccccc12
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| InChI |
InChI=1S/C32H31N5O3/c1-35-20-27(26-14-8-9-15-28(26)35)32(39)40-22-25-19-36(18-24-12-6-3-7-13-24)29-21-37(34-30(29)31(38)33-25)17-16-23-10-4-2-5-11-23/h2-15,20-21,25H,16-19,22H2,1H3,(H,33,38)/t25-/m1/s1
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| InChIKey |
OQOGSVULDOIHHO-RUZDIDTESA-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