General Information of the Compound
| Compound ID |
CP0492946
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| Compound Name |
US9481682, 32
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| Structure |
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| Formula |
C29H28FN7O3
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| Molecular Weight |
541.587
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| Canonical SMILES |
C[C@H]1OC(=O)N2C[C@@H](CC[C@@H]12)c1nc(-c2ccc(cc2F)C(=O)Nc2cc(ccn2)C2CC2)c2c(N)nccn12
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| InChI |
InChI=1S/C29H28FN7O3/c1-15-22-7-5-19(14-37(22)29(39)40-15)27-35-24(25-26(31)33-10-11-36(25)27)20-6-4-18(12-21(20)30)28(38)34-23-13-17(8-9-32-23)16-2-3-16/h4,6,8-13,15-16,19,22H,2-3,5,7,14H2,1H3,(H2,31,33)(H,32,34,38)/t15-,19-,22+/m1/s1
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| InChIKey |
UWQYMBWFDOHMGS-YOMUGFJLSA-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