General Information of the Compound
| Compound ID |
CP0517332
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| Compound Name |
(2S)-2-[(4-hydroxycyclohexyl)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 |
C33H50N6O4
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| Molecular Weight |
594.801
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| Canonical SMILES |
OC1CCC(CC1)N[C@@H](CC(=O)N1CCC(CC1)N1Cc2ccccc2NC1=O)C(=O)N1CCC(CC1)N1CCCCC1
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| InChI |
InChI=1S/C33H50N6O4/c40-28-10-8-25(9-11-28)34-30(32(42)38-20-12-26(13-21-38)36-16-4-1-5-17-36)22-31(41)37-18-14-27(15-19-37)39-23-24-6-2-3-7-29(24)35-33(39)43/h2-3,6-7,25-28,30,34,40H,1,4-5,8-23H2,(H,35,43)/t25?,28?,30-/m0/s1
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| InChIKey |
AYLBMSKJSZBJAD-HMNPYRHBSA-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