General Information of the Compound
| Compound ID |
CP0524779
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| Compound Name |
(2S)-2-(1H-indol-5-ylmethylamino)-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 |
C36H47N7O3
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| Molecular Weight |
625.818
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| Canonical SMILES |
O=C(C[C@H](NCc1ccc2[nH]ccc2c1)C(=O)N1CCC(CC1)N1CCCCC1)N1CCC(CC1)N1Cc2ccccc2NC1=O
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| InChI |
InChI=1S/C36H47N7O3/c44-34(41-18-13-30(14-19-41)43-25-28-6-2-3-7-32(28)39-36(43)46)23-33(38-24-26-8-9-31-27(22-26)10-15-37-31)35(45)42-20-11-29(12-21-42)40-16-4-1-5-17-40/h2-3,6-10,15,22,29-30,33,37-38H,1,4-5,11-14,16-21,23-25H2,(H,39,46)/t33-/m0/s1
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| InChIKey |
GXBKCQLXHVBEPU-XIFFEERXSA-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