General Information of the Compound
| Compound ID |
CP0037570
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| Compound Name |
BEVYXXA
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| Synonyms |
330942-05-7
74RWP7W0J9
BETRIXABAN
Betrixaban
Betrixaban (USAN)
Betrixaban [USAN:INN]
Bevyxxa
D0J0BU
EX-A358
GTPL9602
MolPort-009-682-948
PRT 054021
PRT054021
QCR-99
SCHEMBL158591
UNII-74RWP7W0J9
ZINC3
betrixaban maleate
betrixaban/
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| Structure |
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| Formula |
C23H22ClN5O3
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| Molecular Weight |
451.914
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| Canonical SMILES |
COc1ccc(NC(=O)c2ccc(cc2)C(=N)N(C)C)c(c1)C(=O)Nc1ccc(Cl)cn1
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| InChI |
InChI=1S/C23H22ClN5O3/c1-29(2)21(25)14-4-6-15(7-5-14)22(30)27-19-10-9-17(32-3)12-18(19)23(31)28-20-11-8-16(24)13-26-20/h4-13,25H,1-3H3,(H,27,30)(H,26,28,31)
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| InChIKey |
XHOLNRLADUSQLD-UHFFFAOYSA-N
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| CAS |
330942-05-7
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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