General Information of the Compound
| Compound ID |
CP0414353
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| Compound Name |
3-chloro-7,7-dimethyl-5-[4-[2-(oxan-4-ylamino)ethylamino]phenyl]benzo[d][1]benzazepin-6-one
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| Structure |
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| Formula |
C29H32ClN3O2
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| Molecular Weight |
490.047
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| Canonical SMILES |
CC1(C)c2ccccc2-c2ccc(Cl)cc2N(c2ccc(NCCNC3CCOCC3)cc2)C1=O
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| InChI |
InChI=1S/C29H32ClN3O2/c1-29(2)26-6-4-3-5-24(26)25-12-7-20(30)19-27(25)33(28(29)34)23-10-8-21(9-11-23)31-15-16-32-22-13-17-35-18-14-22/h3-12,19,22,31-32H,13-18H2,1-2H3
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| InChIKey |
XMJSMHQXWAFCMA-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