General Information of the Compound
| Compound ID |
CP0456489
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| Compound Name |
US9206173, 2494
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| Structure |
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| Formula |
C30H30F3N5O3
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| Molecular Weight |
565.596
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| Canonical SMILES |
C[C@H](Nc1nc2CCN(Cc2c(=O)n1CCC#C)C(=O)c1ccc(cc1)C(=O)N(C)C)c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C30H30F3N5O3/c1-5-6-16-38-28(41)24-18-37(27(40)22-9-7-21(8-10-22)26(39)36(3)4)17-15-25(24)35-29(38)34-19(2)20-11-13-23(14-12-20)30(31,32)33/h1,7-14,19H,6,15-18H2,2-4H3,(H,34,35)/t19-/m0/s1
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| InChIKey |
MWJVPVRRNCQMER-IBGZPJMESA-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