General Information of the Compound
| Compound ID |
CP0255934
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| Compound Name |
5-fluoro-3-[[4-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethoxy]-3-methylazulen-1-yl]methylidene]-1H-indol-2-one
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| Structure |
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| Formula |
C27H27FN2O3
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| Molecular Weight |
446.522
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| Canonical SMILES |
Cc1cc(C=C2C(=O)Nc3ccc(F)cc23)c2ccccc(OCCN3CCC[C@H]3CO)c12
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| InChI |
InChI=1S/C27H27FN2O3/c1-17-13-18(14-23-22-15-19(28)8-9-24(22)29-27(23)32)21-6-2-3-7-25(26(17)21)33-12-11-30-10-4-5-20(30)16-31/h2-3,6-9,13-15,20,31H,4-5,10-12,16H2,1H3,(H,29,32)/t20-/m0/s1
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| InChIKey |
ZAXCRUCBIGQULY-FQEVSTJZSA-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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