General Information of the Compound
| Compound ID |
CP0252534
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| Compound Name |
US9453017, 1
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| Synonyms |
BDBM247409
CHEMBL3925090
US9453017, 1
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| Structure |
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| Formula |
C26H27FN4O2
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| Molecular Weight |
446.526
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| Canonical SMILES |
Fc1cccc(c1)N1C(=O)NCC11CCN(CCNC(=O)c2ccc3ccccc3c2)CC1
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| InChI |
InChI=1S/C26H27FN4O2/c27-22-6-3-7-23(17-22)31-25(33)29-18-26(31)10-13-30(14-11-26)15-12-28-24(32)21-9-8-19-4-1-2-5-20(19)16-21/h1-9,16-17H,10-15,18H2,(H,28,32)(H,29,33)
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| InChIKey |
BYFCBILNFVVIKQ-UHFFFAOYSA-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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Clinical Information about the Compound