General Information of the Compound
| Compound ID |
CP0565219
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| Compound Name |
US8933079, 3.12
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| Structure |
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| Formula |
C27H30ClN3O4
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| Molecular Weight |
496.007
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| Canonical SMILES |
Cc1cc(CN2CCC(CO)CC2)ccc1C(=O)Cn1ccc(OCc2ccc(Cl)cn2)cc1=O
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| InChI |
InChI=1S/C27H30ClN3O4/c1-19-12-21(15-30-9-6-20(17-32)7-10-30)2-5-25(19)26(33)16-31-11-8-24(13-27(31)34)35-18-23-4-3-22(28)14-29-23/h2-5,8,11-14,20,32H,6-7,9-10,15-18H2,1H3
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| InChIKey |
PVICIBSSBOPGLQ-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