General Information of the Compound
| Compound ID |
CP0104567
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| Compound Name |
1N-{4-[6-chloro-16-methyl-(12S)-2,10-diazatetracyclo[11.2.1.02,12.04,9]hexadeca-4(9),5,7-trien-10-ylcarbonyl]phenyl}-2-fluorobenzamide
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| Structure |
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| Formula |
C28H25ClFN3O2
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| Molecular Weight |
489.978
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| Canonical SMILES |
Fc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1C[C@@H]2C3CCC(C3)N2Cc2cc(Cl)ccc12
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| InChI |
InChI=1S/C28H25ClFN3O2/c29-20-8-12-25-19(13-20)15-32-22-11-7-18(14-22)26(32)16-33(25)28(35)17-5-9-21(10-6-17)31-27(34)23-3-1-2-4-24(23)30/h1-6,8-10,12-13,18,22,26H,7,11,14-16H2,(H,31,34)/t18?,22?,26-/m1/s1
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| InChIKey |
LXEZAVXXUFARKZ-WHJRKYDLSA-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