General Information of the Compound
| Compound ID |
CP0527482
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| Compound Name |
6-[2-(3-benzylpyrrolidin-1-yl)-2-oxoethyl]-4-(1H-indol-3-ylmethyl)-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 |
C38H34N6O2
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| Molecular Weight |
606.73
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| Canonical SMILES |
O=C(CN1c2ccccc2-n2c(nnc2-c2ccccc2)C(Cc2c[nH]c3ccccc23)C1=O)N1CCC(Cc2ccccc2)C1
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| InChI |
InChI=1S/C38H34N6O2/c45-35(42-20-19-27(24-42)21-26-11-3-1-4-12-26)25-43-33-17-9-10-18-34(33)44-36(28-13-5-2-6-14-28)40-41-37(44)31(38(43)46)22-29-23-39-32-16-8-7-15-30(29)32/h1-18,23,27,31,39H,19-22,24-25H2
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| InChIKey |
ADXYLZDRWMSWLX-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