General Information of the Compound
| Compound ID |
CP0457305
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| Compound Name |
[(3S,4S)-3-phenyl-4-[(4-phenylpiperidin-1-yl)methyl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
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| Structure |
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| Formula |
C28H31N3O
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| Molecular Weight |
425.576
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| Canonical SMILES |
O=C(N1C[C@H](CN2CCC(CC2)c2ccccc2)[C@H](C1)c1ccccc1)c1cccnc1
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| InChI |
InChI=1S/C28H31N3O/c32-28(25-12-7-15-29-18-25)31-20-26(27(21-31)24-10-5-2-6-11-24)19-30-16-13-23(14-17-30)22-8-3-1-4-9-22/h1-12,15,18,23,26-27H,13-14,16-17,19-21H2/t26-,27+/m0/s1
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| InChIKey |
CFLAMLZFZMSEKG-RRPNLBNLSA-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