General Information of the Compound
| Compound ID |
CP0494896
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| Compound Name |
US8772323, 168
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| Structure |
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| Formula |
C28H35N5O3
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| Molecular Weight |
489.62
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| Canonical SMILES |
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(OCCN2CCN(CC2)C(C)C)cc1
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| InChI |
InChI=1S/C28H35N5O3/c1-4-20-18-26(34)30-31-27(20)22-7-10-24-25(17-22)36-28(29-24)21-5-8-23(9-6-21)35-16-15-32-11-13-33(14-12-32)19(2)3/h5-10,17,19-20H,4,11-16,18H2,1-3H3,(H,30,34)
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| InChIKey |
MFCLDIOFEMLYNR-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