General Information of the Compound
| Compound ID |
CP0745894
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| Compound Name |
(+/-)-(1S,4R,9S)-5-Bromo-3,3-Dimethyl-9-(2-methylallyl)-10-(thiophen-2-ylmethyl)-1,2,3,4-tetrahydro-1,4-(epiminomethano)naphthalene
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| Structure |
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| Formula |
C22H26BrNS
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| Molecular Weight |
416.428
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| Canonical SMILES |
C=C(C)C[C@H]1[C@H]2c3c(Br)cccc3[C@H](CC2(C)C)N1Cc1ccsc1
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| InChI |
InChI=1S/C22H26BrNS/c1-14(2)10-18-21-20-16(6-5-7-17(20)23)19(11-22(21,3)4)24(18)12-15-8-9-25-13-15/h5-9,13,18-19,21H,1,10-12H2,2-4H3/t18-,19-,21-/m0/s1
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| InChIKey |
NMUFGVINDAIMKX-ZJOUEHCJSA-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
Protein ID: PT05354, Cytochrome b-245 heavy chain
Protein ID: PT06100, NADPH oxidase 1
Protein ID: PT06215, NADPH oxidase 5