General Information of the Compound
| Compound ID |
CP0578790
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| Compound Name |
4-[8-amino-3-[(3R)-1-(3-methyloxetane-3-carbonyl)piperidin-3-yl]imidazo[1,5-a]pyrazin-1-yl]-2-methoxy-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
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| Formula |
C30H30F3N7O4
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| Molecular Weight |
609.609
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| Canonical SMILES |
COc1cc(ccc1C(=O)Nc1cc(ccn1)C(F)(F)F)-c1nc([C@@H]2CCCN(C2)C(=O)C2(C)COC2)n2ccnc(N)c12
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| InChI |
InChI=1S/C30H30F3N7O4/c1-29(15-44-16-29)28(42)39-10-3-4-18(14-39)26-38-23(24-25(34)36-9-11-40(24)26)17-5-6-20(21(12-17)43-2)27(41)37-22-13-19(7-8-35-22)30(31,32)33/h5-9,11-13,18H,3-4,10,14-16H2,1-2H3,(H2,34,36)(H,35,37,41)/t18-/m1/s1
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| InChIKey |
CCUUZHZXPHSILP-GOSISDBHSA-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