General Information of the Compound
| Compound ID |
CP0702808
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| Compound Name |
(+/-)-(1S,4R,9S)-3,3-Dimethyl-9-(2-methylallyl)-5-(pyridin-3-yl)-1,2,3,4-tetrahydro-1,4-(epimino-methano)naphthalene
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| Structure |
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| Formula |
C22H26N2
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| Molecular Weight |
318.464
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| Canonical SMILES |
C=C(C)C[C@@H]1N[C@H]2CC(C)(C)[C@@H]1c1c(-c3cccnc3)cccc12
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| InChI |
InChI=1S/C22H26N2/c1-14(2)11-18-21-20-16(15-7-6-10-23-13-15)8-5-9-17(20)19(24-18)12-22(21,3)4/h5-10,13,18-19,21,24H,1,11-12H2,2-4H3/t18-,19-,21-/m0/s1
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| InChIKey |
HCKMEAMVQITGLZ-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