General Information of the Compound
| Compound ID |
CP0393472
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| Compound Name |
1,2,3,4-Tetrahydro-isoquinoline-3-carboxylic acid ((R)-1-(4-chloro-benzyl)-2-oxo-2-{4-[2-(4-pyrrolidin-1-yl-piperidin-1-ylmethyl)-phenyl]-piperazin-1-yl}-ethyl)-amide
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| Structure |
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| Formula |
C39H49ClN6O2
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| Molecular Weight |
669.314
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| Canonical SMILES |
Clc1ccc(C[C@@H](NC(=O)[C@H]2Cc3ccccc3CN2)C(=O)N2CCN(CC2)c2ccccc2CN2CCC(CC2)N2CCCC2)cc1
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| InChI |
InChI=1S/C39H49ClN6O2/c40-33-13-11-29(12-14-33)25-36(42-38(47)35-26-30-7-1-2-8-31(30)27-41-35)39(48)46-23-21-45(22-24-46)37-10-4-3-9-32(37)28-43-19-15-34(16-20-43)44-17-5-6-18-44/h1-4,7-14,34-36,41H,5-6,15-28H2,(H,42,47)/t35-,36-/m1/s1
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| InChIKey |
QVIOVFPHSRHZBE-LQFQNGICSA-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