General Information of the Compound
| Compound ID |
CP0920180
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| Compound Name |
4-(7-Ethylamino-6-nitro-quinazolin-4-yl)-piperazine-1-carbothioic acid benzylamide
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| Structure |
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| Formula |
C22H25N7O2S
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| Molecular Weight |
451.556
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| Canonical SMILES |
CCNc1cc2ncnc(N3CCN(/C(S)=N\Cc4ccccc4)CC3)c2cc1[N+](=O)[O-]
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| InChI |
InChI=1S/C22H25N7O2S/c1-2-23-19-13-18-17(12-20(19)29(30)31)21(26-15-25-18)27-8-10-28(11-9-27)22(32)24-14-16-6-4-3-5-7-16/h3-7,12-13,15,23H,2,8-11,14H2,1H3,(H,24,32)
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| InChIKey |
KCRJQZOAFXYEHE-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