General Information of the Compound
| Compound ID |
CP0443447
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| Compound Name |
(4aS,10R,10aS)-2'-amino-8-(2-fluoropyridin-3-yl)-3'-methylspiro[1,3,4,4a,5,10a-hexahydrobenzo[g]isochromene-10,5'-imidazole]-4'-one
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| Structure |
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| Formula |
C21H21FN4O2
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| Molecular Weight |
380.423
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| Canonical SMILES |
CN1C(N)=N[C@@]2([C@H]3COCC[C@@H]3Cc3ccc(cc23)-c2cccnc2F)C1=O
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| InChI |
InChI=1S/C21H21FN4O2/c1-26-19(27)21(25-20(26)23)16-10-12(15-3-2-7-24-18(15)22)4-5-13(16)9-14-6-8-28-11-17(14)21/h2-5,7,10,14,17H,6,8-9,11H2,1H3,(H2,23,25)/t14-,17+,21+/m1/s1
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| InChIKey |
DSYAVZFNUYSNIS-FNXXIHLHSA-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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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound