General Information of the Compound
| Compound ID |
CP0569986
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| Compound Name |
2,9-dichloro-5,5-dimethyl-7-[4-[3-[(oxan-4-ylamino)methyl]azetidin-1-yl]phenyl]pyrido[2,3-d][1]benzazepin-6-one
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| Structure |
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| Formula |
C30H32Cl2N4O2
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| Molecular Weight |
551.518
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| Canonical SMILES |
CC1(C)c2ncc(Cl)cc2-c2ccc(Cl)cc2N(c2ccc(cc2)N2CC(CNC3CCOCC3)C2)C1=O
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| InChI |
InChI=1S/C30H32Cl2N4O2/c1-30(2)28-26(13-21(32)16-34-28)25-8-3-20(31)14-27(25)36(29(30)37)24-6-4-23(5-7-24)35-17-19(18-35)15-33-22-9-11-38-12-10-22/h3-8,13-14,16,19,22,33H,9-12,15,17-18H2,1-2H3
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| InChIKey |
CNFLXTKKNVLRES-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