General Information of the Compound
| Compound ID |
CP0062116
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| Compound Name |
1N-{4-[6-chloro-16-ethyl-(12S)-2,10-diazatetracyclo[11.2.1.02,12.04,9]hexadeca-4(9),5,7-trien-10-ylcarbonyl]phenyl}-2-chlorobenzamide
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| Structure |
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| Formula |
C29H27Cl2N3O2
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| Molecular Weight |
520.46
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| Canonical SMILES |
Clc1ccc2N(C[C@@H]3C4CCC(CC4)N3Cc2c1)C(=O)c1ccc(NC(=O)c2ccccc2Cl)cc1
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| InChI |
InChI=1S/C29H27Cl2N3O2/c30-21-9-14-26-20(15-21)16-33-23-12-7-18(8-13-23)27(33)17-34(26)29(36)19-5-10-22(11-6-19)32-28(35)24-3-1-2-4-25(24)31/h1-6,9-11,14-15,18,23,27H,7-8,12-13,16-17H2,(H,32,35)/t18?,23?,27-/m1/s1
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| InChIKey |
UFARQGNCEDRJRW-IBYOELKQSA-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