General Information of the Compound
| Compound ID |
CP0898127
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| Compound Name |
(R)-1-methyl-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 |
C28H30N6O
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| Molecular Weight |
466.589
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| Canonical SMILES |
C[C@@H](NC(=O)C1CCCCN1C)c1ccc(Nc2ncc3cc(-c4ccncc4)ccc3n2)cc1
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| InChI |
InChI=1S/C28H30N6O/c1-19(31-27(35)26-5-3-4-16-34(26)2)20-6-9-24(10-7-20)32-28-30-18-23-17-22(8-11-25(23)33-28)21-12-14-29-15-13-21/h6-15,17-19,26H,3-5,16H2,1-2H3,(H,31,35)(H,30,32,33)/t19-,26?/m1/s1
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| InChIKey |
DNLHCDOKNZPOJU-ICCFGIFFSA-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