General Information of the Compound
| Compound ID |
CP0515273
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| Compound Name |
US9346786, 29
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| Structure |
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| Formula |
C32H31ClFN5O3
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| Molecular Weight |
588.083
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| Canonical SMILES |
Fc1ccc(OC(=O)N(C2CC2)[C@@H]2CN(C[C@H]2c2ccc(Cl)cc2)C(=O)C2CCN(CC2)c2ccc(cn2)C#N)cc1
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| InChI |
InChI=1S/C32H31ClFN5O3/c33-24-4-2-22(3-5-24)28-19-38(31(40)23-13-15-37(16-14-23)30-12-1-21(17-35)18-36-30)20-29(28)39(26-8-9-26)32(41)42-27-10-6-25(34)7-11-27/h1-7,10-12,18,23,26,28-29H,8-9,13-16,19-20H2/t28-,29+/m0/s1
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| InChIKey |
IKEJIVKSDLLLGA-URLMMPGGSA-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