General Information of the Compound
| Compound ID |
CP0399928
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| Compound Name |
1-(9H-Carbazol-4-yloxy)-3-[(1-pentyl-piperidin-4-ylmethyl)-amino]-propan-2-ol
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| Structure |
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| Formula |
C26H37N3O2
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| Molecular Weight |
423.601
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| Canonical SMILES |
CCCCCN1CCC(CNC[C@H](O)COc2cccc3[nH]c4ccccc4c23)CC1
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| InChI |
InChI=1S/C26H37N3O2/c1-2-3-6-14-29-15-12-20(13-16-29)17-27-18-21(30)19-31-25-11-7-10-24-26(25)22-8-4-5-9-23(22)28-24/h4-5,7-11,20-21,27-28,30H,2-3,6,12-19H2,1H3/t21-/m0/s1
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| InChIKey |
XKMGKBBKDQRGPE-NRFANRHFSA-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