General Information of the Compound
| Compound ID |
CP0565737
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| Compound Name |
US9428460, 20
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| Formula |
C21H22BrN3O3
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| Molecular Weight |
444.329
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| Canonical SMILES |
Cc1cc(no1)C(=O)NC[C@H]1CC[C@@H](CC1)Oc1ccnc2c(Br)cccc12
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| InChI |
InChI=1S/C21H22BrN3O3/c1-13-11-18(25-28-13)21(26)24-12-14-5-7-15(8-6-14)27-19-9-10-23-20-16(19)3-2-4-17(20)22/h2-4,9-11,14-15H,5-8,12H2,1H3,(H,24,26)/t14-,15-
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| InChIKey |
AIJCXGMYMXUYRY-SHTZXODSSA-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