General Information of the Compound
| Compound ID |
CP0378571
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| Compound Name |
methyl 2-[2-[5-(dimethylamino)pentyl-methylamino]-3-(4-phenylphenyl)-4H-quinazolin-4-yl]acetate
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| Structure |
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| Formula |
C31H38N4O2
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| Molecular Weight |
498.671
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| Canonical SMILES |
COC(=O)CC1N(C(=Nc2ccccc12)N(C)CCCCCN(C)C)c1ccc(cc1)-c1ccccc1
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| InChI |
InChI=1S/C31H38N4O2/c1-33(2)21-11-6-12-22-34(3)31-32-28-16-10-9-15-27(28)29(23-30(36)37-4)35(31)26-19-17-25(18-20-26)24-13-7-5-8-14-24/h5,7-10,13-20,29H,6,11-12,21-23H2,1-4H3
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| InChIKey |
WSNHBKIWKNYYGN-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: PT03095, Voltage-dependent T-type calcium channel subunit alpha-1G
Cell Viability or Cytotoxicity Assay