General Information of the Compound
| Compound ID |
CP0391442
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| Compound Name |
N-[5-[(3-carbamoylphenyl)methylcarbamoyl]-2-[4-(2-methylphenyl)piperazin-1-yl]phenyl]furan-2-carboxamide
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| Structure |
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| Formula |
C31H31N5O4
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| Molecular Weight |
537.62
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| Canonical SMILES |
Cc1ccccc1N1CCN(CC1)c1ccc(cc1NC(=O)c1ccco1)C(=O)NCc1cccc(c1)C(N)=O
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| InChI |
InChI=1S/C31H31N5O4/c1-21-6-2-3-9-26(21)35-13-15-36(16-14-35)27-12-11-24(19-25(27)34-31(39)28-10-5-17-40-28)30(38)33-20-22-7-4-8-23(18-22)29(32)37/h2-12,17-19H,13-16,20H2,1H3,(H2,32,37)(H,33,38)(H,34,39)
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| InChIKey |
AQRDOTOETYKPMB-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