General Information of the Compound
| Compound ID |
CP0453919
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| Compound Name |
N-[2-[[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]carbamoylamino]phenyl]quinoline-3-carboxamide
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| Structure |
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| Formula |
C34H31N5O2
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| Molecular Weight |
541.655
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| Canonical SMILES |
O=C(Nc1ccc(CCN2CCc3ccccc3C2)cc1)Nc1ccccc1NC(=O)c1cnc2ccccc2c1
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| InChI |
InChI=1S/C34H31N5O2/c40-33(28-21-26-8-3-4-10-30(26)35-22-28)37-31-11-5-6-12-32(31)38-34(41)36-29-15-13-24(14-16-29)17-19-39-20-18-25-7-1-2-9-27(25)23-39/h1-16,21-22H,17-20,23H2,(H,37,40)(H2,36,38,41)
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| InChIKey |
ZITINVMPJYNKEP-UHFFFAOYSA-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