General Information of the Compound
| Compound ID |
CP0574965
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| Compound Name |
(Z)-3-[4-[(Z)-3-(4,5-dihydro-1H-imidazol-2-ylamino)-3-oxoprop-1-enyl]phenyl]-N-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]prop-2-enamide;dihydrochloride
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| Structure |
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| Formula |
C24H26Cl2N6O2
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| Molecular Weight |
501.418
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| Canonical SMILES |
Cl.Cl.O=C(NC1=NCCN1)\C=C/c1ccc(\C=C/C(=O)Nc2ccc(cc2)C2=NCCN2)cc1
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| InChI |
InChI=1S/C24H24N6O2.2ClH/c31-21(29-20-9-7-19(8-10-20)23-25-13-14-26-23)11-5-17-1-3-18(4-2-17)6-12-22(32)30-24-27-15-16-28-24;;/h1-12H,13-16H2,(H,25,26)(H,29,31)(H2,27,28,30,32);2*1H/b11-5-,12-6-;;
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| InChIKey |
PIIHBAZDGYXSJO-HZPJDNBWSA-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