General Information of the Compound
| Compound ID |
CP0579195
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| Compound Name |
methyl 1-[4-(2,9-dichloro-5,5-dimethyl-6-oxopyrido[2,3-d][1]benzazepin-7-yl)phenyl]-3-[(oxan-4-ylamino)methyl]azetidine-3-carboxylate
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| Structure |
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| Formula |
C32H34Cl2N4O4
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| Molecular Weight |
609.554
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| Canonical SMILES |
COC(=O)C1(CNC2CCOCC2)CN(C1)c1ccc(cc1)N1c2cc(Cl)ccc2-c2cc(Cl)cnc2C(C)(C)C1=O
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| InChI |
InChI=1S/C32H34Cl2N4O4/c1-31(2)28-26(14-21(34)16-35-28)25-9-4-20(33)15-27(25)38(29(31)39)24-7-5-23(6-8-24)37-18-32(19-37,30(40)41-3)17-36-22-10-12-42-13-11-22/h4-9,14-16,22,36H,10-13,17-19H2,1-3H3
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| InChIKey |
MLRKVGZJJBYRTA-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