General Information of the Compound
| Compound ID |
CP0530542
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| Compound Name |
naphthalen-1-yl-[(3S,4S)-3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]methanone
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| Structure |
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| Formula |
C33H34N2O
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| Molecular Weight |
474.648
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| Canonical SMILES |
O=C(N1C[C@H](CN2CCC(CC2)c2ccccc2)[C@H](C1)c1ccccc1)c1cccc2ccccc12
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| InChI |
InChI=1S/C33H34N2O/c36-33(31-17-9-15-27-14-7-8-16-30(27)31)35-23-29(32(24-35)28-12-5-2-6-13-28)22-34-20-18-26(19-21-34)25-10-3-1-4-11-25/h1-17,26,29,32H,18-24H2/t29-,32+/m0/s1
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| InChIKey |
JZDVMULGLYNFNE-BHDXBOSCSA-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