General Information of the Compound
| Compound ID |
CP0218647
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| Compound Name |
[4-[7-cyclopentyloxy-2-(dimethylamino)-6-methoxyquinazolin-4-yl]piperazin-1-yl]-phenylmethanone
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| Structure |
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| Formula |
C27H33N5O3
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| Molecular Weight |
475.593
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| Canonical SMILES |
COc1cc2c(nc(nc2cc1OC1CCCC1)N(C)C)N1CCN(CC1)C(=O)c1ccccc1
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| InChI |
InChI=1S/C27H33N5O3/c1-30(2)27-28-22-18-24(35-20-11-7-8-12-20)23(34-3)17-21(22)25(29-27)31-13-15-32(16-14-31)26(33)19-9-5-4-6-10-19/h4-6,9-10,17-18,20H,7-8,11-16H2,1-3H3
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| InChIKey |
MMJBJONSPGKZHH-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