General Information of the Compound
| Compound ID |
CP0446667
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| Compound Name |
(R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid {(R)-1-(4-chloro-benzyl)-2-oxo-2-[4-(2-{[(piperidin-4-ylmethyl)-amino]-methyl}-phenyl)-piperazin-1-yl]-ethyl}-amide
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| Structure |
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| Formula |
C36H45ClN6O2
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| Molecular Weight |
629.249
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| Canonical SMILES |
Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCN(CC2)c2ccccc2CNCC2CCNCC2)cc1
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| InChI |
InChI=1S/C36H45ClN6O2/c37-31-11-9-26(10-12-31)21-33(41-35(44)32-22-28-5-1-2-6-29(28)25-40-32)36(45)43-19-17-42(18-20-43)34-8-4-3-7-30(34)24-39-23-27-13-15-38-16-14-27/h1-12,27,32-33,38-40H,13-25H2,(H,41,44)/t32-,33-/m1/s1
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| InChIKey |
ZSOSLHPASNRCAN-CZNDPXEESA-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