General Information of the Compound
| Compound ID |
CP0430621
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| Compound Name |
(2S)-2-[(4-amino-6-methyl-5-nitropyrimidin-2-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 |
C32H44N10O5
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| Molecular Weight |
648.769
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| Canonical SMILES |
Cc1nc(N[C@@H](CC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)C(=O)N2CCC(CC2)N2CCCCC2)nc(N)c1[N+]([O-])=O
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| InChI |
InChI=1S/C32H44N10O5/c1-21-28(42(46)47)29(33)37-31(34-21)35-26(30(44)40-17-9-23(10-18-40)38-13-5-2-6-14-38)19-27(43)39-15-11-24(12-16-39)41-20-22-7-3-4-8-25(22)36-32(41)45/h3-4,7-8,23-24,26H,2,5-6,9-20H2,1H3,(H,36,45)(H3,33,34,35,37)/t26-/m0/s1
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| InChIKey |
UFUJOVPUOUSFQQ-SANMLTNESA-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