General Information of the Compound
| Compound ID |
CP0479482
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| Compound Name |
[(2S)-1-[(1S,6R)-4-[1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]-6-methylcyclohex-3-en-1-yl]pyrrolidin-2-yl]methanol
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| Structure |
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| Formula |
C26H31Cl2N5O
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| Molecular Weight |
500.474
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| Canonical SMILES |
C[C@H](c1ccc(Cl)cc1Cl)n1nc(C)c2ncc(nc12)C1=CC[C@@H]([C@H](C)C1)N1CCC[C@H]1CO
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| InChI |
InChI=1S/C26H31Cl2N5O/c1-15-11-18(6-9-24(15)32-10-4-5-20(32)14-34)23-13-29-25-16(2)31-33(26(25)30-23)17(3)21-8-7-19(27)12-22(21)28/h6-8,12-13,15,17,20,24,34H,4-5,9-11,14H2,1-3H3/t15-,17-,20+,24+/m1/s1
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| InChIKey |
YGGKIGNBAOFTKS-PESQVDGASA-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