General Information of the Compound
| Compound ID |
CP0154918
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| Compound Name |
8-[(2S)-3-(5-chlorospiro[3H-1-benzofuran-2,4'-piperidine]-1'-yl)-2-hydroxypropoxy]-1H-quinazoline-2,4-dione
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| Structure |
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| Formula |
C23H24ClN3O5
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| Molecular Weight |
457.914
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| Canonical SMILES |
O[C@H](COc1cccc2c1[nH]c(=O)[nH]c2=O)CN1CCC2(Cc3cc(Cl)ccc3O2)CC1
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| InChI |
InChI=1S/C23H24ClN3O5/c24-15-4-5-18-14(10-15)11-23(32-18)6-8-27(9-7-23)12-16(28)13-31-19-3-1-2-17-20(19)25-22(30)26-21(17)29/h1-5,10,16,28H,6-9,11-13H2,(H2,25,26,29,30)/t16-/m0/s1
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| InChIKey |
QJGYBDAZSZAQSY-INIZCTEOSA-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