General Information of the Compound
| Compound ID |
CP0509500
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| Compound Name |
(R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid {(R)-1-(4-chloro-benzyl)-2-[4-(2-{[(furan-2-ylmethyl)-amino]-methyl}-phenyl)-piperazin-1-yl]-2-oxo-ethyl}-amide
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| Structure |
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| Formula |
C35H38ClN5O3
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| Molecular Weight |
612.174
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| Canonical SMILES |
Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCN(CC2)c2ccccc2CNCc2ccco2)cc1
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| InChI |
InChI=1S/C35H38ClN5O3/c36-29-13-11-25(12-14-29)20-32(39-34(42)31-21-26-6-1-2-7-27(26)23-38-31)35(43)41-17-15-40(16-18-41)33-10-4-3-8-28(33)22-37-24-30-9-5-19-44-30/h1-14,19,31-32,37-38H,15-18,20-24H2,(H,39,42)/t31-,32-/m1/s1
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| InChIKey |
JPVZHIOIJQFRBB-ROJLCIKYSA-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