General Information of the Compound
| Compound ID |
CP0553884
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| Compound Name |
US8772323, 250
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| Structure |
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| Formula |
C27H32N4O3
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| Molecular Weight |
460.578
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| Canonical SMILES |
CCC1CC(=O)NN=C1c1ccc2nc(oc2c1)-c1ccc(OCCN2[C@@H](C)CC[C@@H]2C)cc1
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| InChI |
InChI=1S/C27H32N4O3/c1-4-19-16-25(32)29-30-26(19)21-9-12-23-24(15-21)34-27(28-23)20-7-10-22(11-8-20)33-14-13-31-17(2)5-6-18(31)3/h7-12,15,17-19H,4-6,13-14,16H2,1-3H3,(H,29,32)/t17-,18-,19?/m0/s1
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| InChIKey |
NUUOPZZSQNUOMC-ADUPEVMXSA-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