General Information of the Compound
| Compound ID |
CP0516908
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| Compound Name |
US9481682, 137
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| Structure |
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| Formula |
C31H32FN7O3
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| Molecular Weight |
569.641
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| Canonical SMILES |
CCOc1cc(C(=O)Nc2cc(ccn2)C2CC2)c(F)cc1-c1nc([C@@H]2CC[C@H]3CCC(=O)N3C2)n2ccnc(N)c12
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| InChI |
InChI=1S/C31H32FN7O3/c1-2-42-24-15-21(31(41)36-25-13-18(9-10-34-25)17-3-4-17)23(32)14-22(24)27-28-29(33)35-11-12-38(28)30(37-27)19-5-6-20-7-8-26(40)39(20)16-19/h9-15,17,19-20H,2-8,16H2,1H3,(H2,33,35)(H,34,36,41)/t19-,20+/m1/s1
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| InChIKey |
PKXRRIIXEATPGM-UXHICEINSA-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