General Information of the Compound
| Compound ID |
CP0451668
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| Compound Name |
benzyl (1R,8R)-4-[4-(cyclopentylmethyl)piperazin-1-yl]-9-azatricyclo[6.3.1.02,7]dodeca-2(7),3,5-triene-9-carboxylate
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| Structure |
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| Formula |
C29H37N3O2
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| Molecular Weight |
459.634
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| Canonical SMILES |
O=C(OCc1ccccc1)N1CC[C@@H]2C[C@@H]1c1ccc(cc21)N1CCN(CC2CCCC2)CC1
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| InChI |
InChI=1S/C29H37N3O2/c33-29(34-21-23-8-2-1-3-9-23)32-13-12-24-18-28(32)26-11-10-25(19-27(24)26)31-16-14-30(15-17-31)20-22-6-4-5-7-22/h1-3,8-11,19,22,24,28H,4-7,12-18,20-21H2/t24-,28-/m1/s1
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| InChIKey |
FFEFPLRYPIORNK-UFHPHHKVSA-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