General Information of the Compound
| Compound ID |
CP0470791
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| Compound Name |
2-(6-(3-(azepan-1-yl)propoxy)-4-oxo-2-phenylquinazolin-3(4H)-yl)-N-(cyclopropylmethyl)acetamide
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| Structure |
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| Formula |
C29H36N4O3
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| Molecular Weight |
488.632
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| Canonical SMILES |
O=C(Cn1c(nc2ccc(OCCCN3CCCCCC3)cc2c1=O)-c1ccccc1)NCC1CC1
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| InChI |
InChI=1S/C29H36N4O3/c34-27(30-20-22-11-12-22)21-33-28(23-9-4-3-5-10-23)31-26-14-13-24(19-25(26)29(33)35)36-18-8-17-32-15-6-1-2-7-16-32/h3-5,9-10,13-14,19,22H,1-2,6-8,11-12,15-18,20-21H2,(H,30,34)
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| InChIKey |
YREYEYHEYWEJAE-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