General Information of the Compound
| Compound ID |
CP0001372
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| Compound Name |
(2R,3R)-3-[2-[4-(cyclopropylsulfonimidoyl)anilino]-5-(trifluoromethyl)pyrimidin-4-yl]oxybutan-2-ol
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| Synonyms |
1223498-69-8
BAY 10-00394
BAY 1000394
GTPL7874
KB-145902
SCHEMBL875845
Tube010
roniciclib
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| Structure |
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| Formula |
C18H21F3N4O3S
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| Molecular Weight |
430.452
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| Canonical SMILES |
C[C@@H](O)[C@@H](C)Oc1nc(Nc2ccc(cc2)S(=N)(=O)C2CC2)ncc1C(F)(F)F
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| InChI |
InChI=1S/C18H21F3N4O3S/c1-10(26)11(2)28-16-15(18(19,20)21)9-23-17(25-16)24-12-3-5-13(6-4-12)29(22,27)14-7-8-14/h3-6,9-11,14,22,26H,7-8H2,1-2H3,(H,23,24,25)/t10-,11-,29?/m1/s1
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| InChIKey |
UELYDGOOJPRWGF-MFOHZAOFSA-N
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| CAS |
1223498-69-8
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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
Drug 1 ( BAY 10-00394 )
| Drug Name | BAY 10-00394 | ||
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| Company | Bayer healthcare pharmaceuticals | ||
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