General Information of the Compound
| Compound ID |
CP0386007
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| Compound Name |
2-((4R)-4-(1H-indol-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 |
C36H32N6O2
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| Molecular Weight |
580.692
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| Canonical SMILES |
CC(C)N(Cc1ccccc1)C(=O)CN1c2ccccc2-n2c(nnc2-c2ccccc2)[C@@H](c2c[nH]c3ccccc23)C1=O
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| InChI |
InChI=1S/C36H32N6O2/c1-24(2)40(22-25-13-5-3-6-14-25)32(43)23-41-30-19-11-12-20-31(30)42-34(26-15-7-4-8-16-26)38-39-35(42)33(36(41)44)28-21-37-29-18-10-9-17-27(28)29/h3-21,24,33,37H,22-23H2,1-2H3/t33-/m1/s1
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| InChIKey |
CFRYWCUTRXGKBW-MGBGTMOVSA-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