General Information of the Compound
| Compound ID |
CP0445464
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| Compound Name |
2-[2-[6-(dimethylamino)hexyl-methylamino]-3-naphthalen-2-yl-4H-quinazolin-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide;hydrochloride
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| Structure |
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| Formula |
C37H46ClN5O2
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| Molecular Weight |
628.261
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| Canonical SMILES |
Cl.COc1ccc(CNC(=O)CC2N(C(=Nc3ccccc23)N(C)CCCCCCN(C)C)c2ccc3ccccc3c2)cc1
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| InChI |
InChI=1S/C37H45N5O2.ClH/c1-40(2)23-11-5-6-12-24-41(3)37-39-34-16-10-9-15-33(34)35(26-36(43)38-27-28-17-21-32(44-4)22-18-28)42(37)31-20-19-29-13-7-8-14-30(29)25-31;/h7-10,13-22,25,35H,5-6,11-12,23-24,26-27H2,1-4H3,(H,38,43);1H
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| InChIKey |
RVKSITSEHHTZCM-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