General Information of the Compound
| Compound ID |
CP0513268
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| Compound Name |
4-[4-(cyclopentylmethyl)piperazin-1-yl]-6-methoxy-N,N-dimethyl-7-(3-pyrrolidin-1-ylpropoxy)quinazolin-2-amine
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| Structure |
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| Formula |
C28H44N6O2
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| Molecular Weight |
496.7
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| Canonical SMILES |
COc1cc2c(nc(nc2cc1OCCCN1CCCC1)N(C)C)N1CCN(CC2CCCC2)CC1
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| InChI |
InChI=1S/C28H44N6O2/c1-31(2)28-29-24-20-26(36-18-8-13-32-11-6-7-12-32)25(35-3)19-23(24)27(30-28)34-16-14-33(15-17-34)21-22-9-4-5-10-22/h19-20,22H,4-18,21H2,1-3H3
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| InChIKey |
GTZOCSHDTGOTEC-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