General Information of the Compound
| Compound ID |
CP0324842
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| Compound Name |
(R)-2-cyclopropyl-4-(4-(2- methoxyphenyl)piperidin-1-yl)-6- (3-methoxypyrrolidin-1- yl)quinazoline, HCl salt
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| Structure |
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| Formula |
C28H34N4O2
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| Molecular Weight |
458.606
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| Canonical SMILES |
CO[C@@H]1CCN(C1)c1ccc2nc(nc(N3CCC(CC3)c3ccccc3OC)c2c1)C1CC1
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| InChI |
InChI=1S/C28H34N4O2/c1-33-22-13-16-32(18-22)21-9-10-25-24(17-21)28(30-27(29-25)20-7-8-20)31-14-11-19(12-15-31)23-5-3-4-6-26(23)34-2/h3-6,9-10,17,19-20,22H,7-8,11-16,18H2,1-2H3/t22-/m1/s1
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| InChIKey |
JPWQBXUIRBWWIL-JOCHJYFZSA-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