General Information of the Compound
| Compound ID |
CP0405013
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| Compound Name |
US9481682, 219
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| Structure |
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| Formula |
C30H29F4N7O3
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| Molecular Weight |
611.6
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| Canonical SMILES |
COc1cc(cc(F)c1-c1nc([C@@H]2CC[C@H]3CC(C)(C)C(=O)N3C2)n2ccnc(N)c12)C(=O)Nc1cc(ccn1)C(F)(F)F
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| InChI |
InChI=1S/C30H29F4N7O3/c1-29(2)13-18-5-4-15(14-41(18)28(29)43)26-39-23(24-25(35)37-8-9-40(24)26)22-19(31)10-16(11-20(22)44-3)27(42)38-21-12-17(6-7-36-21)30(32,33)34/h6-12,15,18H,4-5,13-14H2,1-3H3,(H2,35,37)(H,36,38,42)/t15-,18+/m1/s1
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| InChIKey |
WAZCMVGTIAJNLF-QAPCUYQASA-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