General Information of the Compound
| Compound ID |
CP0558040
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| Compound Name |
(2S)-2-[(4-bromonaphthalen-1-yl)amino]-4-[4-(2-oxo-1,4-dihydroquinazolin-3-yl)piperidin-1-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)butane-1,4-dione
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| Structure |
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| Formula |
C37H45BrN6O3
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| Molecular Weight |
701.71
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| Canonical SMILES |
Brc1ccc(N[C@@H](CC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)C(=O)N2CCC(CC2)N2CCCCC2)c2ccccc12
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| InChI |
InChI=1S/C37H45BrN6O3/c38-31-12-13-33(30-10-4-3-9-29(30)31)39-34(36(46)43-22-14-27(15-23-43)41-18-6-1-7-19-41)24-35(45)42-20-16-28(17-21-42)44-25-26-8-2-5-11-32(26)40-37(44)47/h2-5,8-13,27-28,34,39H,1,6-7,14-25H2,(H,40,47)/t34-/m0/s1
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| InChIKey |
FALQGTMYJQEIRK-UMSFTDKQSA-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