General Information of the Compound
| Compound ID |
CP0506664
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| Compound Name |
N-(2-imidazol-1-ylethyl)-12-oxo-12H-benzo[g]pyrido[2,1-b]quinazoline-4-carboxamide
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| Structure |
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| Formula |
C22H17N5O2
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| Molecular Weight |
383.411
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| Canonical SMILES |
O=C(NCCn1ccnc1)c1cccn2c1nc1cc3ccccc3cc1c2=O
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| InChI |
InChI=1S/C22H17N5O2/c28-21(24-8-11-26-10-7-23-14-26)17-6-3-9-27-20(17)25-19-13-16-5-2-1-4-15(16)12-18(19)22(27)29/h1-7,9-10,12-14H,8,11H2,(H,24,28)
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| InChIKey |
ZTTNRKBKTLNNOF-UHFFFAOYSA-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