General Information of the Compound
| Compound ID |
CP0513270
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| Compound Name |
1-[4-[2-(dimethylamino)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-4-yl]piperazin-1-yl]-2-methylpropan-1-one
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| Structure |
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| Formula |
C26H40N6O3
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| Molecular Weight |
484.645
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| Canonical SMILES |
COc1cc2c(nc(nc2cc1OCCCN1CCCC1)N(C)C)N1CCN(CC1)C(=O)C(C)C
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| InChI |
InChI=1S/C26H40N6O3/c1-19(2)25(33)32-14-12-31(13-15-32)24-20-17-22(34-5)23(18-21(20)27-26(28-24)29(3)4)35-16-8-11-30-9-6-7-10-30/h17-19H,6-16H2,1-5H3
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| InChIKey |
ZHGWBGBRXLNGSK-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