General Information of the Compound
| Compound ID |
CP0531302
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| Compound Name |
US9428456, 1.189
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| Structure |
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| Formula |
C29H43N5O2
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| Molecular Weight |
493.696
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| Canonical SMILES |
CC(C)Cc1cc(C(=O)Nc2cccc(c2)C(C)N2CCC(CC2)C(=O)NC2CCCCC2)n(C)n1
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| InChI |
InChI=1S/C29H43N5O2/c1-20(2)17-26-19-27(33(4)32-26)29(36)31-25-12-8-9-23(18-25)21(3)34-15-13-22(14-16-34)28(35)30-24-10-6-5-7-11-24/h8-9,12,18-22,24H,5-7,10-11,13-17H2,1-4H3,(H,30,35)(H,31,36)
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| InChIKey |
JTKVXORXZGXJTI-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