General Information of the Compound
| Compound ID |
CP0400336
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| Compound Name |
3-[1-[3-(4-ethylpyridin-2-yl)-4-(7-methyl-1H-indazol-5-yl)butanoyl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one
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| Structure |
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| Formula |
C32H36N6O2
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| Molecular Weight |
536.68
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| Canonical SMILES |
CCc1ccnc(c1)C(CC(=O)N1CCC(CC1)N1Cc2ccccc2NC1=O)Cc1cc(C)c2[nH]ncc2c1
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| InChI |
InChI=1S/C32H36N6O2/c1-3-22-8-11-33-29(17-22)25(15-23-14-21(2)31-26(16-23)19-34-36-31)18-30(39)37-12-9-27(10-13-37)38-20-24-6-4-5-7-28(24)35-32(38)40/h4-8,11,14,16-17,19,25,27H,3,9-10,12-13,15,18,20H2,1-2H3,(H,34,36)(H,35,40)
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| InChIKey |
SOARTUYTWPOQMP-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