General Information of the Compound
| Compound ID |
CP0402178
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| Compound Name |
US9714221, Example 4
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| Structure |
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| Formula |
C30H30ClF2NO2
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| Molecular Weight |
510.024
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| Canonical SMILES |
Oc1ccc2CCCC(c3ccc(F)cc3Cl)=C(c3ccc(O[C@H]4CCN(CCCF)C4)cc3)c2c1
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| InChI |
InChI=1S/C30H30ClF2NO2/c31-29-17-22(33)8-12-26(29)27-4-1-3-20-5-9-23(35)18-28(20)30(27)21-6-10-24(11-7-21)36-25-13-16-34(19-25)15-2-14-32/h5-12,17-18,25,35H,1-4,13-16,19H2/t25-/m0/s1
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| InChIKey |
INIXJZYQQPVXOX-VWLOTQADSA-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