General Information of the Compound
| Compound ID |
CP0368203
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| Compound Name |
2-[2-[4-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]piperazin-1-yl]ethylsulfanyl]-3H-quinazolin-4-one
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| Structure |
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| Formula |
C25H28N6O2S
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| Molecular Weight |
476.606
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| Canonical SMILES |
O=c1[nH]c(SCCN2CCN(CCCc3nc(no3)-c3ccccc3)CC2)nc2ccccc12
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| InChI |
InChI=1S/C25H28N6O2S/c32-24-20-9-4-5-10-21(20)26-25(28-24)34-18-17-31-15-13-30(14-16-31)12-6-11-22-27-23(29-33-22)19-7-2-1-3-8-19/h1-5,7-10H,6,11-18H2,(H,26,28,32)
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| InChIKey |
KBFBQODMTQIXEB-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: PT00839, Poly [ADP-ribose] polymerase 1
Protein ID: PT01328, Poly [ADP-ribose] polymerase 2