General Information of the Compound
| Compound ID |
CP0485972
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| Compound Name |
(R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid {(R)-1-(4-chloro-benzyl)-2-[4-(2-cyclopropylaminomethyl-phenyl)-piperazin-1-yl]-2-oxo-ethyl}-amide
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| Structure |
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| Formula |
C33H38ClN5O2
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| Molecular Weight |
572.153
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| Canonical SMILES |
Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCN(CC2)c2ccccc2CNC2CC2)cc1
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| InChI |
InChI=1S/C33H38ClN5O2/c34-27-11-9-23(10-12-27)19-30(37-32(40)29-20-24-5-1-2-6-25(24)21-36-29)33(41)39-17-15-38(16-18-39)31-8-4-3-7-26(31)22-35-28-13-14-28/h1-12,28-30,35-36H,13-22H2,(H,37,40)/t29-,30-/m1/s1
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| InChIKey |
ICRJCGLBFZCEKH-LOYHVIPDSA-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