General Information of the Compound
| Compound ID |
CP0579424
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| Compound Name |
CHEMBL5184722
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| Formula |
C26H35FN4O2
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| Molecular Weight |
454.59
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| Canonical SMILES |
C[C@H]1CN(Cc2ccc(cc2C)N(C)C(=O)[C@H]2CC[C@@H](CC2)Oc2ccc(F)cn2)CCN1
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| InChI |
InChI=1S/C26H35FN4O2/c1-18-14-23(8-4-21(18)17-31-13-12-28-19(2)16-31)30(3)26(32)20-5-9-24(10-6-20)33-25-11-7-22(27)15-29-25/h4,7-8,11,14-15,19-20,24,28H,5-6,9-10,12-13,16-17H2,1-3H3/t19-,20-,24-/m0/s1
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| InChIKey |
FLVYLBRKKSWSEE-SKPFHBQLSA-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