General Information of the Compound
| Compound ID |
CP0497004
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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-(4-phenyl-piperazin-1-ylmethyl)-phenyl]-piperazin-1-yl}-ethyl)-amide
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| Structure |
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| Formula |
C40H45ClN6O2
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| Molecular Weight |
677.293
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| Canonical SMILES |
Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCN(CC2)c2ccccc2CN2CCN(CC2)c2ccccc2)cc1
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| InChI |
InChI=1S/C40H45ClN6O2/c41-34-16-14-30(15-17-34)26-37(43-39(48)36-27-31-8-4-5-9-32(31)28-42-36)40(49)47-24-22-46(23-25-47)38-13-7-6-10-33(38)29-44-18-20-45(21-19-44)35-11-2-1-3-12-35/h1-17,36-37,42H,18-29H2,(H,43,48)/t36-,37-/m1/s1
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| InChIKey |
QBJUDAFQJAJWAL-FZNHDDJXSA-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