General Information of the Compound
| Compound ID |
CP0838246
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| Compound Name |
(R)-1-(2-Hydroxyethyl)-N-((R)-1-(4-(6-(pyridin-4-yl)-quinazolin-2 ylamino)phenyl)ethyl)piperidine-2-carboxamide
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| Structure |
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| Formula |
C29H32N6O2
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| Molecular Weight |
496.615
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| Canonical SMILES |
C[C@@H](NC(=O)[C@H]1CCCCN1CCO)c1ccc(Nc2ncc3cc(-c4ccncc4)ccc3n2)cc1
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| InChI |
InChI=1S/C29H32N6O2/c1-20(32-28(37)27-4-2-3-15-35(27)16-17-36)21-5-8-25(9-6-21)33-29-31-19-24-18-23(7-10-26(24)34-29)22-11-13-30-14-12-22/h5-14,18-20,27,36H,2-4,15-17H2,1H3,(H,32,37)(H,31,33,34)/t20-,27-/m1/s1
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| InChIKey |
RFOGWAWYFJVZET-NFQMXDRXSA-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