General Information of the Compound
| Compound ID |
CP0076475
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| Compound Name |
2-[2-[4-[3-(4-phenylphenoxy)propyl]piperazin-1-yl]ethylsulfanyl]-3H-quinazolin-4-one
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| Structure |
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| Formula |
C29H32N4O2S
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| Molecular Weight |
500.668
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| Canonical SMILES |
O=c1[nH]c(SCCN2CCN(CCCOc3ccc(cc3)-c3ccccc3)CC2)nc2ccccc12
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| InChI |
InChI=1S/C29H32N4O2S/c34-28-26-9-4-5-10-27(26)30-29(31-28)36-22-20-33-18-16-32(17-19-33)15-6-21-35-25-13-11-24(12-14-25)23-7-2-1-3-8-23/h1-5,7-14H,6,15-22H2,(H,30,31,34)
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| InChIKey |
CXPJWDXJJXREGA-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