General Information of the Compound
| Compound ID |
CP0476977
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| Compound Name |
US8618303, 35
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| Structure |
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| Formula |
C30H33ClFN5O4
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| Molecular Weight |
582.076
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| Canonical SMILES |
COc1ccc(nn1)N1CCC(CC1)C(=O)N1C[C@@H](N(C)C(=O)Oc2ccc(F)cc2)[C@@](C)(C1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C30H33ClFN5O4/c1-30(21-4-6-22(31)7-5-21)19-37(18-25(30)35(2)29(39)41-24-10-8-23(32)9-11-24)28(38)20-14-16-36(17-15-20)26-12-13-27(40-3)34-33-26/h4-13,20,25H,14-19H2,1-3H3/t25-,30+/m1/s1
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| InChIKey |
JBCWEHUMLZIPID-RNAHPLFWSA-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