General Information of the Compound
| Compound ID |
CP0576004
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| Compound Name |
3,10-dichloro-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 |
C29H31Cl2N3O2
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| Molecular Weight |
524.492
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| Canonical SMILES |
CC1(C)c2ccc(Cl)cc2-c2ccc(Cl)cc2N(c2ccc(NCCNC3CCOCC3)cc2)C1=O
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| InChI |
InChI=1S/C29H31Cl2N3O2/c1-29(2)26-10-4-19(30)17-25(26)24-9-3-20(31)18-27(24)34(28(29)35)23-7-5-21(6-8-23)32-13-14-33-22-11-15-36-16-12-22/h3-10,17-18,22,32-33H,11-16H2,1-2H3
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| InChIKey |
RXJMSINVRPFYPY-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