General Information of the Compound
| Compound ID |
CP0564384
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| Compound Name |
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-carboxylic acid
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| Structure |
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| Formula |
C31H32Cl2N4O4
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| Molecular Weight |
595.527
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| Canonical SMILES |
CC1(C)c2ncc(Cl)cc2-c2ccc(Cl)cc2N(c2ccc(cc2)N2CC(CNC3CCOCC3)(C2)C(O)=O)C1=O
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| InChI |
InChI=1S/C31H32Cl2N4O4/c1-30(2)27-25(13-20(33)15-34-27)24-8-3-19(32)14-26(24)37(28(30)38)23-6-4-22(5-7-23)36-17-31(18-36,29(39)40)16-35-21-9-11-41-12-10-21/h3-8,13-15,21,35H,9-12,16-18H2,1-2H3,(H,39,40)
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| InChIKey |
RLWJAQOAGHDLCN-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