General Information of the Compound
| Compound ID |
CP0570531
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| Compound Name |
N-[(3S,5R)-1-[5-chloro-4-[[(2S)-2-cyclopropyl-3,3-difluoro-7-methyl-6-oxo-2,4-dihydro-1H-[1,4]oxazepino[2,3-c]quinolin-10-yl]amino]pyrimidin-2-yl]-5-methylpiperidin-3-yl]acetamide
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| Structure |
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| Formula |
C28H32ClF2N7O3
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| Molecular Weight |
588.059
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| Canonical SMILES |
C[C@@H]1C[C@@H](CN(C1)c1ncc(Cl)c(Nc2ccc3n(C)c(=O)c4OCC(F)(F)[C@@H](Nc4c3c2)C2CC2)n1)NC(C)=O
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| InChI |
InChI=1S/C28H32ClF2N7O3/c1-14-8-18(33-15(2)39)12-38(11-14)27-32-10-20(29)25(36-27)34-17-6-7-21-19(9-17)22-23(26(40)37(21)3)41-13-28(30,31)24(35-22)16-4-5-16/h6-7,9-10,14,16,18,24,35H,4-5,8,11-13H2,1-3H3,(H,33,39)(H,32,34,36)/t14-,18+,24+/m1/s1
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| InChIKey |
YJEGTRPXGMXUTO-OSDILXSKSA-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