General Information of the Compound
| Compound ID |
CP0562182
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| Compound Name |
2-chloro-9-fluoro-5,5-dimethyl-7-[4-[2-(oxan-4-ylamino)ethylamino]phenyl]pyrido[2,3-d][1]benzazepin-6-one
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| Structure |
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| Formula |
C28H30ClFN4O2
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| Molecular Weight |
509.025
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| Canonical SMILES |
CC1(C)c2ncc(Cl)cc2-c2ccc(F)cc2N(c2ccc(NCCNC3CCOCC3)cc2)C1=O
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| InChI |
InChI=1S/C28H30ClFN4O2/c1-28(2)26-24(15-18(29)17-33-26)23-8-3-19(30)16-25(23)34(27(28)35)22-6-4-20(5-7-22)31-11-12-32-21-9-13-36-14-10-21/h3-8,15-17,21,31-32H,9-14H2,1-2H3
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| InChIKey |
YQNZEPOIXCJIHE-UHFFFAOYSA-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