General Information of the Compound
| Compound ID |
CP0373242
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| Compound Name |
2-(4-(1H-indazol-3-yl)-5-oxo-1-phenyl-4H-benzo[b][1,2,4]triazolo[4,3-d][1,4]diazepin-6(5H)-yl)-N-benzyl-N-isopropylacetamide
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| Structure |
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| Formula |
C35H31N7O2
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| Molecular Weight |
581.68
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| Canonical SMILES |
CC(C)N(Cc1ccccc1)C(=O)CN1c2ccccc2-n2c(nnc2-c2ccccc2)C(c2n[nH]c3ccccc23)C1=O
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| InChI |
InChI=1S/C35H31N7O2/c1-23(2)40(21-24-13-5-3-6-14-24)30(43)22-41-28-19-11-12-20-29(28)42-33(25-15-7-4-8-16-25)38-39-34(42)31(35(41)44)32-26-17-9-10-18-27(26)36-37-32/h3-20,23,31H,21-22H2,1-2H3,(H,36,37)
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| InChIKey |
NWMICPFRYRCYBN-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
Protein ID: PT01365, Cholecystokinin receptor type A
Protein ID: PT00958, Cholecystokinin receptor type A