General Information of the Compound
| Compound ID |
CP0059636
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| Compound Name |
(2E)-2-cyano-N-{3-[(2E)-2-cyano-3-(1H-indol-5-yl)prop-2-enamido]propyl}-3-(1H-indol-5-yl)prop-2-enamide
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| Structure |
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| Formula |
C27H22N6O2
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| Molecular Weight |
462.513
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| Canonical SMILES |
O=C(NCCCNC(=O)C(=C\c1ccc2[nH]ccc2c1)\C#N)C(=C\c1ccc2[nH]ccc2c1)\C#N
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| InChI |
InChI=1S/C27H22N6O2/c28-16-22(14-18-2-4-24-20(12-18)6-10-30-24)26(34)32-8-1-9-33-27(35)23(17-29)15-19-3-5-25-21(13-19)7-11-31-25/h2-7,10-15,30-31H,1,8-9H2,(H,32,34)(H,33,35)/b22-14+,23-15+
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| InChIKey |
OBKFTXZDEKYDTC-HOFJZWJUSA-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