General Information of the Compound
| Compound ID |
CP0806517
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| Compound Name |
N-{(3-exo)-8-[(6-Fluoro-2-naphthyl)methyl]-8-azabicyclo[3.2.1]oct-3-yl}-4-(piperidin-1-ylcarbonyl)nicotinamide
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| Formula |
C30H33FN4O2
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| Molecular Weight |
500.618
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| Canonical SMILES |
O=C(N[C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccc2cc(F)ccc2c1)c1cnccc1C(=O)N1CCCCC1
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| InChI |
InChI=1S/C30H33FN4O2/c31-23-7-6-21-14-20(4-5-22(21)15-23)19-35-25-8-9-26(35)17-24(16-25)33-29(36)28-18-32-11-10-27(28)30(37)34-12-2-1-3-13-34/h4-7,10-11,14-15,18,24-26H,1-3,8-9,12-13,16-17,19H2,(H,33,36)/t24-,25-,26+
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| InChIKey |
QVTRULHJJDTVLZ-PBROBROCSA-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