General Information of the Compound
| Compound ID |
CP0772632
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| Compound Name |
N-{(3-exo)-8-[(6-Fluoro-2-naphthyl)methyl]-8-azabicyclo[3.2.1]oct-3-yl}-2-[(4-methylpiperazin-1-yl)carbonyl]benzamide
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| Formula |
C31H35FN4O2
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| Molecular Weight |
514.645
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| Canonical SMILES |
CN1CCN(C(=O)c2ccccc2C(=O)N[C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccc3cc(F)ccc3c2)CC1
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| InChI |
InChI=1S/C31H35FN4O2/c1-34-12-14-35(15-13-34)31(38)29-5-3-2-4-28(29)30(37)33-25-18-26-10-11-27(19-25)36(26)20-21-6-7-23-17-24(32)9-8-22(23)16-21/h2-9,16-17,25-27H,10-15,18-20H2,1H3,(H,33,37)/t25-,26-,27+
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| InChIKey |
IABLUIXTFBYBAQ-OJXFFNQFSA-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