General Information of the Compound
| Compound ID |
CP0456727
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| Compound Name |
4-[7-(3-Carbamimidoyl-propoxy)-6-methoxy-quinazolin-4-yl]-piperazine-1-carboxylic acid (4-isopropoxy-phenyl)-amide
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| Structure |
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| Formula |
C27H35N7O4
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| Molecular Weight |
521.622
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| Canonical SMILES |
COc1cc2c(ncnc2cc1OCCCC(N)=N)N1CCN(CC1)C(=O)Nc1ccc(OC(C)C)cc1
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| InChI |
InChI=1S/C27H35N7O4/c1-18(2)38-20-8-6-19(7-9-20)32-27(35)34-12-10-33(11-13-34)26-21-15-23(36-3)24(16-22(21)30-17-31-26)37-14-4-5-25(28)29/h6-9,15-18H,4-5,10-14H2,1-3H3,(H3,28,29)(H,32,35)
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| InChIKey |
VSWZGAGDFYIAFT-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