General Information of the Compound
| Compound ID |
CP0577847
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| Compound Name |
US8969325, 140
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| Structure |
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| Formula |
C23H28N4O3
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| Molecular Weight |
408.502
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| Canonical SMILES |
CCC1(CC)C[C@@H](NC(=O)Nc2cccc3N(C)C(=O)NCc23)c2ccccc2O1
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| InChI |
InChI=1S/C23H28N4O3/c1-4-23(5-2)13-18(15-9-6-7-12-20(15)30-23)26-21(28)25-17-10-8-11-19-16(17)14-24-22(29)27(19)3/h6-12,18H,4-5,13-14H2,1-3H3,(H,24,29)(H2,25,26,28)/t18-/m1/s1
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| InChIKey |
RBLKZHUVUSUUFY-GOSISDBHSA-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