General Information of the Compound
| Compound ID |
CP0550505
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| Compound Name |
(2S)-2-(naphthalen-1-ylamino)-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 |
C37H46N6O3
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| Molecular Weight |
622.814
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| Canonical SMILES |
O=C(C[C@H](Nc1cccc2ccccc12)C(=O)N1CCC(CC1)N1CCCCC1)N1CCC(CC1)N1Cc2ccccc2NC1=O
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| InChI |
InChI=1S/C37H46N6O3/c44-35(41-21-17-30(18-22-41)43-26-28-10-3-5-13-32(28)39-37(43)46)25-34(38-33-14-8-11-27-9-2-4-12-31(27)33)36(45)42-23-15-29(16-24-42)40-19-6-1-7-20-40/h2-5,8-14,29-30,34,38H,1,6-7,15-26H2,(H,39,46)/t34-/m0/s1
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| InChIKey |
FYHOAXUGVKLSBG-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