General Information of the Compound
| Compound ID |
CP0387721
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| Compound Name |
US9481682, 136
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| Structure |
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| Formula |
C31H31ClFN7O3
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| Molecular Weight |
604.086
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| Canonical SMILES |
CCOc1cc(C(=O)Nc2cc(ccn2)C2CC2)c(F)cc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2c(Cl)cnc(N)c12
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| InChI |
InChI=1S/C31H31ClFN7O3/c1-2-43-23-13-20(31(42)37-25-11-17(9-10-35-25)16-3-4-16)22(33)12-21(23)27-28-29(34)36-14-24(32)40(28)30(38-27)18-5-6-19-7-8-26(41)39(19)15-18/h9-14,16,18-19H,2-8,15H2,1H3,(H2,34,36)(H,35,37,42)/t18-,19+/m1/s1
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| InChIKey |
LFUDJFPAMDXZIR-MOPGFXCFSA-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