General Information of the Compound
| Compound ID |
CP0234347
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| Compound Name |
1-[4-(benzylamino)-5,6,7,8-tetrahydroquinazolin-2-yl]-2-methylindole-4-carboxamide
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| Structure |
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| Formula |
C25H25N5O
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| Molecular Weight |
411.509
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| Canonical SMILES |
Cc1cc2c(cccc2n1-c1nc2CCCCc2c(NCc2ccccc2)n1)C(N)=O
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| InChI |
InChI=1S/C25H25N5O/c1-16-14-20-18(23(26)31)11-7-13-22(20)30(16)25-28-21-12-6-5-10-19(21)24(29-25)27-15-17-8-3-2-4-9-17/h2-4,7-9,11,13-14H,5-6,10,12,15H2,1H3,(H2,26,31)(H,27,28,29)
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| InChIKey |
KUEIHNZYDWMRGR-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: PT02021, Transitional endoplasmic reticulum ATPase
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000068 | A-549 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 590 nM
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TI
LI
LO
TS
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