General Information of the Compound
| Compound ID |
CP0963489
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| Compound Name |
1-[4-[(2R)-3-(3,3-diphenylpropylamino)-2-hydroxypropoxy]phenyl]-3-phenylpropan-1-one
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| Structure |
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| Formula |
C33H35NO3
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| Molecular Weight |
493.647
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| Canonical SMILES |
O=C(CCc1ccccc1)c1ccc(OC[C@H](O)CNCCC(c2ccccc2)c2ccccc2)cc1
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| InChI |
InChI=1S/C33H35NO3/c35-30(24-34-23-22-32(27-12-6-2-7-13-27)28-14-8-3-9-15-28)25-37-31-19-17-29(18-20-31)33(36)21-16-26-10-4-1-5-11-26/h1-15,17-20,30,32,34-35H,16,21-25H2/t30-/m1/s1
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| InChIKey |
KCGHIRCECWCQOC-SSEXGKCCSA-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