General Information of the Compound
| Compound ID |
CP0399630
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| Compound Name |
(2S)-2-[(6-chloropyrimidin-4-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 |
C31H41ClN8O3
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| Molecular Weight |
609.175
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| Canonical SMILES |
Clc1cc(N[C@@H](CC(=O)N2CCC(CC2)N2Cc3ccccc3NC2=O)C(=O)N2CCC(CC2)N2CCCCC2)ncn1
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| InChI |
InChI=1S/C31H41ClN8O3/c32-27-19-28(34-21-33-27)35-26(30(42)39-16-8-23(9-17-39)37-12-4-1-5-13-37)18-29(41)38-14-10-24(11-15-38)40-20-22-6-2-3-7-25(22)36-31(40)43/h2-3,6-7,19,21,23-24,26H,1,4-5,8-18,20H2,(H,36,43)(H,33,34,35)/t26-/m0/s1
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| InChIKey |
JXWXGOJNYYAPHJ-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