General Information of the Compound
| Compound ID |
CP0565579
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| Compound Name |
US8927539, 6
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| Structure |
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| Formula |
C29H30N2O3
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| Molecular Weight |
454.57
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| Canonical SMILES |
CC(=C)CC1(CCN(C(=O)O1)C1(CC1)c1ccc(cc1)-c1ccn(C)c(=O)c1)c1ccccc1
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| InChI |
InChI=1S/C29H30N2O3/c1-21(2)20-29(25-7-5-4-6-8-25)16-18-31(27(33)34-29)28(14-15-28)24-11-9-22(10-12-24)23-13-17-30(3)26(32)19-23/h4-13,17,19H,1,14-16,18,20H2,2-3H3
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| InChIKey |
VXHDBTMNWMBGQO-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