General Information of the Compound
| Compound ID |
CP0970644
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| Compound Name |
5-[(2R,6S)-2,6-dimethylpiperazin-1-yl]-3-[6-[(3R)-3-methylpiperazin-1-yl]-3-pyridyl]-1H-pyrazolo[4,3-d]pyrimidine
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| Structure |
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| Formula |
C21H29N9
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| Molecular Weight |
407.526
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| Canonical SMILES |
C[C@@H]1CN(c2ccc(-c3n[nH]c4cnc(N5[C@H](C)CNC[C@@H]5C)nc34)cn2)CCN1
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| InChI |
InChI=1S/C21H29N9/c1-13-12-29(7-6-23-13)18-5-4-16(10-24-18)19-20-17(27-28-19)11-25-21(26-20)30-14(2)8-22-9-15(30)3/h4-5,10-11,13-15,22-23H,6-9,12H2,1-3H3,(H,27,28)/t13-,14-,15+/m1/s1
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| InChIKey |
HDOGFVCZWYLGCM-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