General Information of the Compound
| Compound ID |
CP0513064
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| Compound Name |
N-(cyclopropylmethyl)-2-[6-(3-morpholin-4-ylpropoxy)-4-oxo-2-thiophen-2-ylquinazolin-3-yl]acetamide
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| Structure |
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| Formula |
C25H30N4O4S
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| Molecular Weight |
482.606
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| Canonical SMILES |
O=C(Cn1c(nc2ccc(OCCCN3CCOCC3)cc2c1=O)-c1cccs1)NCC1CC1
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| InChI |
InChI=1S/C25H30N4O4S/c30-23(26-16-18-4-5-18)17-29-24(22-3-1-14-34-22)27-21-7-6-19(15-20(21)25(29)31)33-11-2-8-28-9-12-32-13-10-28/h1,3,6-7,14-15,18H,2,4-5,8-13,16-17H2,(H,26,30)
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| InChIKey |
LPRDHENBVYUTLL-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