General Information of the Compound
| Compound ID |
CP0428370
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| Compound Name |
3-[1-[4-(7-methyl-1H-indazol-5-yl)-3-(3-methylpyridin-2-yl)butanoyl]piperidin-4-yl]-1,4-dihydroquinazolin-2-one
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| Structure |
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| Formula |
C31H34N6O2
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| Molecular Weight |
522.653
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| Canonical SMILES |
Cc1cccnc1C(CC(=O)N1CCC(CC1)N1Cc2ccccc2NC1=O)Cc1cc(C)c2[nH]ncc2c1
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| InChI |
InChI=1S/C31H34N6O2/c1-20-6-5-11-32-29(20)24(15-22-14-21(2)30-25(16-22)18-33-35-30)17-28(38)36-12-9-26(10-13-36)37-19-23-7-3-4-8-27(23)34-31(37)39/h3-8,11,14,16,18,24,26H,9-10,12-13,15,17,19H2,1-2H3,(H,33,35)(H,34,39)
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| InChIKey |
IIPKKXCMVUVRSU-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