General Information of the Compound
| Compound ID |
CP0274443
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| Compound Name |
(2R,3S)-N-(4-(3-Bromoanilino)quinazolin-6-yl)-3-(piperidin-1-ylmethyl)oxirane-2-carboxamide
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| Structure |
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| Formula |
C23H24BrN5O2
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| Molecular Weight |
482.382
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| Canonical SMILES |
Brc1cccc(Nc2ncnc3ccc(NC(=O)[C@@H]4O[C@H]4CN4CCCCC4)cc23)c1
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| InChI |
InChI=1S/C23H24BrN5O2/c24-15-5-4-6-16(11-15)27-22-18-12-17(7-8-19(18)25-14-26-22)28-23(30)21-20(31-21)13-29-9-2-1-3-10-29/h4-8,11-12,14,20-21H,1-3,9-10,13H2,(H,28,30)(H,25,26,27)/t20-,21+/m0/s1
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| InChIKey |
KGIFCCDXPXCPKK-LEWJYISDSA-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