General Information of the Compound
| Compound ID |
CP0395879
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| Compound Name |
3-[6-[4-(2,5-dimethylphenyl)-1-piperazinyl]-6-oxohexyl]-6-(4-morpholinyl)-2-sulfanylidene-1H-quinazolin-4-one
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| Structure |
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| Formula |
C30H39N5O3S
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| Molecular Weight |
549.741
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| Canonical SMILES |
Cc1ccc(C)c(c1)N1CCN(CC1)C(=O)CCCCCn1c(=S)[nH]c2ccc(cc2c1=O)N1CCOCC1
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| InChI |
InChI=1S/C30H39N5O3S/c1-22-7-8-23(2)27(20-22)33-12-14-34(15-13-33)28(36)6-4-3-5-11-35-29(37)25-21-24(32-16-18-38-19-17-32)9-10-26(25)31-30(35)39/h7-10,20-21H,3-6,11-19H2,1-2H3,(H,31,39)
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| InChIKey |
YRUFCRMSWYXDDA-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: PT06109, Geminin
Protein ID: PT06124, Paired box protein Pax-8