General Information of the Compound
| Compound ID |
CP0284121
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| Compound Name |
US10336717, Compound 64
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| Formula |
C19H24BrN3O2
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| Molecular Weight |
406.324
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| Canonical SMILES |
CO[C@H]1CC[C@@]2(Cc3ccc(Br)cc3C22CC(=O)N(C)C(N)=N2)CC1
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| InChI |
InChI=1S/C19H24BrN3O2/c1-23-16(24)11-19(22-17(23)21)15-9-13(20)4-3-12(15)10-18(19)7-5-14(25-2)6-8-18/h3-4,9,14H,5-8,10-11H2,1-2H3,(H2,21,22)/t14-,18-,19?
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| InChIKey |
MCQFTCPFMYIOBK-FGWLZILTSA-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