General Information of the Compound
| Compound ID |
CP0459608
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| Compound Name |
[1-[1-[4-[3-(4-chlorophenyl)propylamino]-6,7-dimethoxyquinazolin-2-yl]piperidin-4-yl]piperidin-3-yl]methanol
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| Structure |
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| Formula |
C30H40ClN5O3
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| Molecular Weight |
554.135
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| Canonical SMILES |
COc1cc2nc(nc(NCCCc3ccc(Cl)cc3)c2cc1OC)N1CCC(CC1)N1CCCC(CO)C1
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| InChI |
InChI=1S/C30H40ClN5O3/c1-38-27-17-25-26(18-28(27)39-2)33-30(34-29(25)32-13-3-5-21-7-9-23(31)10-8-21)35-15-11-24(12-16-35)36-14-4-6-22(19-36)20-37/h7-10,17-18,22,24,37H,3-6,11-16,19-20H2,1-2H3,(H,32,33,34)
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| InChIKey |
LOOANSAOYXBBSO-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