General Information of the Compound
| Compound ID |
CP0762528
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| Compound Name |
(S)-N-((R)-1-(4-(6-(Pyridin-4-yl)quinazolin-2-ylamino)-phenyl)ethyl)piperidine-3-carboxamide
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| Structure |
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| Formula |
C27H28N6O
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| Molecular Weight |
452.562
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| Canonical SMILES |
C[C@@H](NC(=O)[C@H]1CCCNC1)c1ccc(Nc2ncc3cc(-c4ccncc4)ccc3n2)cc1
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| InChI |
InChI=1S/C27H28N6O/c1-18(31-26(34)22-3-2-12-29-16-22)19-4-7-24(8-5-19)32-27-30-17-23-15-21(6-9-25(23)33-27)20-10-13-28-14-11-20/h4-11,13-15,17-18,22,29H,2-3,12,16H2,1H3,(H,31,34)(H,30,32,33)/t18-,22+/m1/s1
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| InChIKey |
UQUPPVNCPRBTOT-GCJKJVERSA-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