General Information of the Compound
| Compound ID |
CP0458809
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| Compound Name |
6-(2-{(R)-1-[(R)-2-Hydroxy-3-(2-indan-2-yl-1,1-dimethyl-ethylamino)-propoxy]-ethyl}-phenyl)-tricyclo[3.2.1.0*2,4*]octane-3-carboxylic acid
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| Structure |
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| Formula |
C33H43NO4
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| Molecular Weight |
517.71
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| Canonical SMILES |
C[C@@H](OC[C@H](O)CNC(C)(C)CC1Cc2ccccc2C1)c1ccccc1C1CC2CC1C1C2C1C(O)=O
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| InChI |
InChI=1S/C33H43NO4/c1-19(25-10-6-7-11-26(25)27-14-23-15-28(27)30-29(23)31(30)32(36)37)38-18-24(35)17-34-33(2,3)16-20-12-21-8-4-5-9-22(21)13-20/h4-11,19-20,23-24,27-31,34-35H,12-18H2,1-3H3,(H,36,37)/t19-,23?,24-,27?,28?,29?,30?,31?/m1/s1
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| InChIKey |
KDKRHKYQJHCYEN-XJHGNMNBSA-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