General Information of the Compound
| Compound ID |
CP0467139
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| Compound Name |
4-[6-Methoxy-7-(2-methoxy-ethoxy)-quinazolin-4-yl]-piperazine-1-carboxylic acid [4-(1H-indol-5-yloxy)-phenyl]-amide
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| Structure |
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| Formula |
C31H32N6O5
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| Molecular Weight |
568.634
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| Canonical SMILES |
COCCOc1cc2ncnc(N3CCN(CC3)C(=O)Nc3ccc(Oc4ccc5[nH]ccc5c4)cc3)c2cc1OC
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| InChI |
InChI=1S/C31H32N6O5/c1-39-15-16-41-29-19-27-25(18-28(29)40-2)30(34-20-33-27)36-11-13-37(14-12-36)31(38)35-22-3-5-23(6-4-22)42-24-7-8-26-21(17-24)9-10-32-26/h3-10,17-20,32H,11-16H2,1-2H3,(H,35,38)
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| InChIKey |
JDPYFIGKIIQSSF-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