General Information of the Compound
| Compound ID |
CP0537620
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| Compound Name |
6-[2-(2-ethylpiperidin-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 |
C34H34N6O2
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| Molecular Weight |
558.686
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| Canonical SMILES |
CCC1CCCCN1C(=O)CN1c2ccccc2-n2c(nnc2-c2ccccc2)C(Cc2c[nH]c3ccccc23)C1=O
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| InChI |
InChI=1S/C34H34N6O2/c1-2-25-14-10-11-19-38(25)31(41)22-39-29-17-8-9-18-30(29)40-32(23-12-4-3-5-13-23)36-37-33(40)27(34(39)42)20-24-21-35-28-16-7-6-15-26(24)28/h3-9,12-13,15-18,21,25,27,35H,2,10-11,14,19-20,22H2,1H3
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| InChIKey |
QVSAKQDEIVRNKI-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