General Information of the Compound
| Compound ID |
CP0677100
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| Compound Name |
(R)-(3'-Chloro-4'-hydroxy-3,5-dimethyl-biphenyl-2-yl)-carbamic acid 1-{9-[2-hydroxy-2-(4-hydroxy-3-methanesulfonylamino-phenyl)-ethylamino]-nonyl}-piperidin-4-yl ester
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| Structure |
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| Formula |
C38H53ClN4O7S
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| Molecular Weight |
745.383
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| Canonical SMILES |
Cc1cc(C)c(NC(=O)OC2CCN(CCCCCCCCCNC[C@H](O)c3ccc(O)c(NS(C)(=O)=O)c3)CC2)c(-c2ccc(O)c(Cl)c2)c1
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| InChI |
InChI=1S/C38H53ClN4O7S/c1-26-21-27(2)37(31(22-26)28-11-13-34(44)32(39)23-28)41-38(47)50-30-15-19-43(20-16-30)18-10-8-6-4-5-7-9-17-40-25-36(46)29-12-14-35(45)33(24-29)42-51(3,48)49/h11-14,21-24,30,36,40,42,44-46H,4-10,15-20,25H2,1-3H3,(H,41,47)/t36-/m0/s1
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| InChIKey |
XKANEACQXQNDQP-BHVANESWSA-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