General Information of the Compound
| Compound ID |
CP0558039
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| Compound Name |
(2S)-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)-2-(pyridin-2-ylmethylamino)butane-1,4-dione
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| Structure |
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| Formula |
C33H45N7O3
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| Molecular Weight |
587.769
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| Canonical SMILES |
O=C(C[C@H](NCc1ccccn1)C(=O)N1CCC(CC1)N1CCCCC1)N1CCC(CC1)N1Cc2ccccc2NC1=O
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| InChI |
InChI=1S/C33H45N7O3/c41-31(38-18-13-28(14-19-38)40-24-25-8-2-3-10-29(25)36-33(40)43)22-30(35-23-26-9-4-5-15-34-26)32(42)39-20-11-27(12-21-39)37-16-6-1-7-17-37/h2-5,8-10,15,27-28,30,35H,1,6-7,11-14,16-24H2,(H,36,43)/t30-/m0/s1
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| InChIKey |
ORVXFNWYROSDGX-PMERELPUSA-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