General Information of the Compound
| Compound ID |
CP0549362
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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-(pyrimidin-4-ylamino)butane-1,4-dione
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| Structure |
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| Formula |
C31H42N8O3
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| Molecular Weight |
574.73
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| Canonical SMILES |
O=C(C[C@H](Nc1ccncn1)C(=O)N1CCC(CC1)N1CCCCC1)N1CCC(CC1)N1Cc2ccccc2NC1=O
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| InChI |
InChI=1S/C31H42N8O3/c40-29(37-16-11-25(12-17-37)39-21-23-6-2-3-7-26(23)35-31(39)42)20-27(34-28-8-13-32-22-33-28)30(41)38-18-9-24(10-19-38)36-14-4-1-5-15-36/h2-3,6-8,13,22,24-25,27H,1,4-5,9-12,14-21H2,(H,35,42)(H,32,33,34)/t27-/m0/s1
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| InChIKey |
HBQDMNWZCXPWMC-MHZLTWQESA-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