General Information of the Compound
| Compound ID |
CP0381123
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| Compound Name |
(R)-(4-(4-hydroxy-3-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 |
C33H33N5O4
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| Molecular Weight |
563.658
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| Canonical SMILES |
Cc1cc(O)ccc1CN1C[C@H](COC(=O)c2cn(C)c3ccccc23)NC(=O)c2nn(CCc3ccccc3)cc12
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| InChI |
InChI=1S/C33H33N5O4/c1-22-16-26(39)13-12-24(22)17-37-18-25(21-42-33(41)28-19-36(2)29-11-7-6-10-27(28)29)34-32(40)31-30(37)20-38(35-31)15-14-23-8-4-3-5-9-23/h3-13,16,19-20,25,39H,14-15,17-18,21H2,1-2H3,(H,34,40)/t25-/m1/s1
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| InChIKey |
DXCKVMPDYOKFRW-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