General Information of the Compound
| Compound ID |
CP0070013
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| Compound Name |
US9453017, 2
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| Synonyms |
BDBM247410
CHEMBL3947795
SCHEMBL14833317
US9453017, 2
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| Structure |
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| Formula |
C25H29BrN4O2
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| Molecular Weight |
497.437
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| Canonical SMILES |
C[C@@H](CN1CCC(CC1)n1c2ccc(Br)cc2[nH]c1=O)NC(=O)[C@@H]1C[C@@H]1c1ccccc1
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| InChI |
InChI=1S/C25H29BrN4O2/c1-16(27-24(31)21-14-20(21)17-5-3-2-4-6-17)15-29-11-9-19(10-12-29)30-23-8-7-18(26)13-22(23)28-25(30)32/h2-8,13,16,19-21H,9-12,14-15H2,1H3,(H,27,31)(H,28,32)/t16-,20+,21+/m0/s1
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| InChIKey |
JSVNNLRZCJAYTQ-ZLGUVYLKSA-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