General Information of the Compound
| Compound ID |
CP0345081
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| Compound Name |
(+/-)-3-(3-(1-oxo-1,2,3,7,8,9-hexahydropyrano[3,2-e]isoindol-8-ylamino)propyl)-1H-indole-5-carbonitrile
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| Structure |
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| Formula |
C23H22N4O2
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| Molecular Weight |
386.455
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| Canonical SMILES |
O=C1NCc2ccc3OCC(Cc3c12)NCCCc1c[nH]c2ccc(cc12)C#N
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| InChI |
InChI=1S/C23H22N4O2/c24-10-14-3-5-20-18(8-14)15(11-26-20)2-1-7-25-17-9-19-21(29-13-17)6-4-16-12-27-23(28)22(16)19/h3-6,8,11,17,25-26H,1-2,7,9,12-13H2,(H,27,28)
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| InChIKey |
RQESDRFAXQLNBU-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