General Information of the Compound
| Compound ID |
CP0476976
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| Compound Name |
US8618303, 23
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| Structure |
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| Formula |
C30H31ClF2N4O3
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| Molecular Weight |
569.052
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| Canonical SMILES |
CN([C@@H]1CN(C[C@@]1(C)c1ccc(Cl)cc1)C(=O)C1CCN(CC1)c1ccc(F)cn1)C(=O)Oc1ccc(F)cc1
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| InChI |
InChI=1S/C30H31ClF2N4O3/c1-30(21-3-5-22(31)6-4-21)19-37(18-26(30)35(2)29(39)40-25-10-7-23(32)8-11-25)28(38)20-13-15-36(16-14-20)27-12-9-24(33)17-34-27/h3-12,17,20,26H,13-16,18-19H2,1-2H3/t26-,30+/m1/s1
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| InChIKey |
BVVANLMQPZWSDC-VIZCGCQYSA-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