General Information of the Compound
| Compound ID |
CP0408733
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| Compound Name |
4-(1H-indol-3-ylmethyl)-6-[2-oxo-2-[2-(pyridin-2-ylmethyl)pyrrolidin-1-yl]ethyl]-1-phenyl-4H-[1,2,4]triazolo[3,4-d][1,5]benzodiazepin-5-one
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| Structure |
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| Formula |
C37H33N7O2
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| Molecular Weight |
607.718
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| Canonical SMILES |
O=C(CN1c2ccccc2-n2c(nnc2-c2ccccc2)C(Cc2c[nH]c3ccccc23)C1=O)N1CCCC1Cc1ccccn1
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| InChI |
InChI=1S/C37H33N7O2/c45-34(42-20-10-14-28(42)22-27-13-8-9-19-38-27)24-43-32-17-6-7-18-33(32)44-35(25-11-2-1-3-12-25)40-41-36(44)30(37(43)46)21-26-23-39-31-16-5-4-15-29(26)31/h1-9,11-13,15-19,23,28,30,39H,10,14,20-22,24H2
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| InChIKey |
ONXZTZUKNBADAJ-UHFFFAOYSA-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