General Information of the Compound
| Compound ID |
CP0967054
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| Compound Name |
(3R,5S)-3,5-dimethyl-4-[3-[6-[(3R)-3-methylpiperazin-1-yl]-3-pyridyl]-1H-pyrazolo[4,3-d]pyrimidin-5-yl]morpholine
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| Structure |
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| Formula |
C21H28N8O
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| Molecular Weight |
408.51
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| Canonical SMILES |
C[C@@H]1CN(c2ccc(-c3n[nH]c4cnc(N5[C@H](C)COC[C@@H]5C)nc34)cn2)CCN1
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| InChI |
InChI=1S/C21H28N8O/c1-13-10-28(7-6-22-13)18-5-4-16(8-23-18)19-20-17(26-27-19)9-24-21(25-20)29-14(2)11-30-12-15(29)3/h4-5,8-9,13-15,22H,6-7,10-12H2,1-3H3,(H,26,27)/t13-,14-,15+/m1/s1
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| InChIKey |
BSVRVRYBQFKTMV-KFWWJZLASA-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