General Information of the Compound
| Compound ID |
CP0453939
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| Compound Name |
(2S,3S)-N-[[5-(5-cyclopropyltetrazol-1-yl)-2-methoxyphenyl]methyl]-2-phenylpiperidin-3-amine;dihydrochloride
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| Structure |
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| Formula |
C23H30Cl2N6O
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| Molecular Weight |
477.44
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| Canonical SMILES |
Cl.Cl.COc1ccc(cc1CN[C@H]1CCCN[C@H]1c1ccccc1)-n1nnnc1C1CC1
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| InChI |
InChI=1S/C23H28N6O.2ClH/c1-30-21-12-11-19(29-23(17-9-10-17)26-27-28-29)14-18(21)15-25-20-8-5-13-24-22(20)16-6-3-2-4-7-16;;/h2-4,6-7,11-12,14,17,20,22,24-25H,5,8-10,13,15H2,1H3;2*1H/t20-,22-;;/m0../s1
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| InChIKey |
SDPGFARMYYTOFO-HWELVIDPSA-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