General Information of the Compound
| Compound ID |
CP0486731
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| Compound Name |
(3-{3-[1-(1-Cyclohexylmethyl-4-phenyl-pyrrolidin-3-ylmethyl)-4-hydroxy-piperidin-4-yl]-propyl}-phenyl)-acetic acid
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| Structure |
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| Formula |
C34H48N2O3
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| Molecular Weight |
532.769
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| Canonical SMILES |
OC(=O)Cc1cccc(CCCC2(O)CCN(C[C@H]3CN(CC4CCCCC4)C[C@@H]3c3ccccc3)CC2)c1
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| InChI |
InChI=1S/C34H48N2O3/c37-33(38)22-29-12-7-11-27(21-29)13-8-16-34(39)17-19-35(20-18-34)24-31-25-36(23-28-9-3-1-4-10-28)26-32(31)30-14-5-2-6-15-30/h2,5-7,11-12,14-15,21,28,31-32,39H,1,3-4,8-10,13,16-20,22-26H2,(H,37,38)/t31-,32+/m0/s1
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| InChIKey |
IMUDDPQNMKTPCR-AJQTZOPKSA-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