General Information of the Compound
| Compound ID |
CP0440312
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| Compound Name |
(R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid ((R)-1-(4-chloro-benzyl)-2-{4-[2-(1-cyclopropylamino-ethyl)-phenyl]-piperazin-1-yl}-2-oxo-ethyl)-amide
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| Structure |
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| Formula |
C34H40ClN5O2
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| Molecular Weight |
586.18
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| Canonical SMILES |
CC(NC1CC1)c1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1
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| InChI |
InChI=1S/C34H40ClN5O2/c1-23(37-28-14-15-28)29-8-4-5-9-32(29)39-16-18-40(19-17-39)34(42)31(20-24-10-12-27(35)13-11-24)38-33(41)30-21-25-6-2-3-7-26(25)22-36-30/h2-13,23,28,30-31,36-37H,14-22H2,1H3,(H,38,41)/t23?,30-,31-/m1/s1
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| InChIKey |
NHYYWMLPJGZTLX-BACCKDGZSA-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