General Information of the Compound
| Compound ID |
CP0558829
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| Compound Name |
7-cyclopentyloxy-6-methoxy-4-(4-methylpiperazin-1-yl)-N-[3-(4-methylpiperazin-1-yl)propyl]quinazolin-2-amine
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| Formula |
C27H43N7O2
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| Molecular Weight |
497.688
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| Canonical SMILES |
COc1cc2c(nc(NCCCN3CCN(C)CC3)nc2cc1OC1CCCC1)N1CCN(C)CC1
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| InChI |
InChI=1S/C27H43N7O2/c1-31-11-15-33(16-12-31)10-6-9-28-27-29-23-20-25(36-21-7-4-5-8-21)24(35-3)19-22(23)26(30-27)34-17-13-32(2)14-18-34/h19-21H,4-18H2,1-3H3,(H,28,29,30)
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| InChIKey |
PTYNHPMXQPIHMW-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