General Information of the Compound
| Compound ID |
CP0531407
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| Compound Name |
N-[(2R,4aS,6R,8aR)-6-(4-pyridin-2-ylpiperazin-1-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]benzamide
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| Structure |
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| Formula |
C26H34N4O
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| Molecular Weight |
418.585
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| Canonical SMILES |
O=C(N[C@@H]1CC[C@H]2C[C@@H](CC[C@@H]2C1)N1CCN(CC1)c1ccccn1)c1ccccc1
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| InChI |
InChI=1S/C26H34N4O/c31-26(20-6-2-1-3-7-20)28-23-11-9-22-19-24(12-10-21(22)18-23)29-14-16-30(17-15-29)25-8-4-5-13-27-25/h1-8,13,21-24H,9-12,14-19H2,(H,28,31)/t21-,22+,23-,24-/m1/s1
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| InChIKey |
OVQXIVRARLGKOO-UEQSERJNSA-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