General Information of the Compound
| Compound ID |
CP0374527
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| Compound Name |
(R)-1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid {(R)-1-(4-chloro-benzyl)-2-[4-(2-{[methyl-(2-pyridin-2-yl-ethyl)-amino]-methyl}-phenyl)-piperazin-1-yl]-2-oxo-ethyl}-amide
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| Structure |
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| Formula |
C38H43ClN6O2
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| Molecular Weight |
651.255
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| Canonical SMILES |
CN(CCc1ccccn1)Cc1ccccc1N1CCN(CC1)C(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@H]1Cc2ccccc2CN1
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| InChI |
InChI=1S/C38H43ClN6O2/c1-43(19-17-33-11-6-7-18-40-33)27-31-10-4-5-12-36(31)44-20-22-45(23-21-44)38(47)35(24-28-13-15-32(39)16-14-28)42-37(46)34-25-29-8-2-3-9-30(29)26-41-34/h2-16,18,34-35,41H,17,19-27H2,1H3,(H,42,46)/t34-,35-/m1/s1
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| InChIKey |
FJWOXGHISFSVOD-VSJLXWSYSA-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