General Information of the Compound
| Compound ID |
CP0021297
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| Compound Name |
[(3S)-3-hydroxypyrrolidin-1-yl]-[3-[(1-methylindazol-5-yl)methyl]-2H-indazol-5-yl]methanone
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| Structure |
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| Formula |
C21H21N5O2
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| Molecular Weight |
375.432
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| Canonical SMILES |
Cn1ncc2cc(Cc3n[nH]c4ccc(cc34)C(=O)N3CC[C@H](O)C3)ccc12
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| InChI |
InChI=1S/C21H21N5O2/c1-25-20-5-2-13(8-15(20)11-22-25)9-19-17-10-14(3-4-18(17)23-24-19)21(28)26-7-6-16(27)12-26/h2-5,8,10-11,16,27H,6-7,9,12H2,1H3,(H,23,24)/t16-/m0/s1
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| InChIKey |
GPXUGZJCRBUYGZ-INIZCTEOSA-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