General Information of the Compound
| Compound ID |
CP0513358
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| Compound Name |
US9346786, 47
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| Structure |
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| Formula |
C31H33ClF2N4O3
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| Molecular Weight |
583.079
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| Canonical SMILES |
CCN([C@@H]1CN(C[C@H]1c1ccc(Cl)c(F)c1)C(=O)C1CCN(CC1)c1ccc(C)cn1)C(=O)Oc1ccc(F)cc1
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| InChI |
InChI=1S/C31H33ClF2N4O3/c1-3-38(31(40)41-24-8-6-23(33)7-9-24)28-19-37(18-25(28)22-5-10-26(32)27(34)16-22)30(39)21-12-14-36(15-13-21)29-11-4-20(2)17-35-29/h4-11,16-17,21,25,28H,3,12-15,18-19H2,1-2H3/t25-,28+/m0/s1
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| InChIKey |
NJYSVQSHFLGGGI-LBNVMWSVSA-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