General Information of the Compound
| Compound ID |
CP0517333
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| Compound Name |
phenyl N-[(2S)-1,4-dioxo-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butan-2-yl]carbamate
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| Structure |
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| Formula |
C34H44N6O5
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| Molecular Weight |
616.763
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| Canonical SMILES |
O=C(N[C@@H](CC(=O)N1CCC(CC1)N1Cc2ccccc2NC1=O)C(=O)N1CCC(CC1)N1CCCCC1)Oc1ccccc1
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| InChI |
InChI=1S/C34H44N6O5/c41-31(38-19-15-27(16-20-38)40-24-25-9-5-6-12-29(25)35-33(40)43)23-30(36-34(44)45-28-10-3-1-4-11-28)32(42)39-21-13-26(14-22-39)37-17-7-2-8-18-37/h1,3-6,9-12,26-27,30H,2,7-8,13-24H2,(H,35,43)(H,36,44)/t30-/m0/s1
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| InChIKey |
XJJWAAUEPPMZAF-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