General Information of the Compound
| Compound ID |
CP0541594
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| Compound Name |
2-(6-(3-aminopropoxy)-4-oxo-2-phenylquinazolin-3(4H)-yl)-N-(cyclopropylmethyl)acetamide
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| Structure |
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| Formula |
C23H26N4O3
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| Molecular Weight |
406.486
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| Canonical SMILES |
NCCCOc1ccc2nc(-c3ccccc3)n(CC(=O)NCC3CC3)c(=O)c2c1
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| InChI |
InChI=1S/C23H26N4O3/c24-11-4-12-30-18-9-10-20-19(13-18)23(29)27(15-21(28)25-14-16-7-8-16)22(26-20)17-5-2-1-3-6-17/h1-3,5-6,9-10,13,16H,4,7-8,11-12,14-15,24H2,(H,25,28)
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| InChIKey |
RKHAJOYTJWTCBP-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