General Information of the Compound
| Compound ID |
CP0409461
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| Compound Name |
(2S,3S)-N-[[2-methoxy-5-(5-propyltetrazol-1-yl)phenyl]methyl]-2-phenylpiperidin-3-amine;dihydrochloride
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| Structure |
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| Formula |
C23H32Cl2N6O
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| Molecular Weight |
479.456
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| Canonical SMILES |
Cl.Cl.CCCc1nnnn1-c1ccc(OC)c(CN[C@H]2CCCN[C@H]2c2ccccc2)c1
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| InChI |
InChI=1S/C23H30N6O.2ClH/c1-3-8-22-26-27-28-29(22)19-12-13-21(30-2)18(15-19)16-25-20-11-7-14-24-23(20)17-9-5-4-6-10-17;;/h4-6,9-10,12-13,15,20,23-25H,3,7-8,11,14,16H2,1-2H3;2*1H/t20-,23-;;/m0../s1
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| InChIKey |
PYZFNHIPYBWJQP-KBVFCZPLSA-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