General Information of the Compound
| Compound ID |
CP0964932
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| Compound Name |
5-[(2S,6R)-2,6-dimethyl-1-piperidyl]-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 |
C22H30N8
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| Molecular Weight |
406.538
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| Canonical SMILES |
C[C@@H]1CN(c2ccc(-c3n[nH]c4cnc(N5[C@H](C)CCC[C@@H]5C)nc34)cn2)CCN1
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| InChI |
InChI=1S/C22H30N8/c1-14-13-29(10-9-23-14)19-8-7-17(11-24-19)20-21-18(27-28-20)12-25-22(26-21)30-15(2)5-4-6-16(30)3/h7-8,11-12,14-16,23H,4-6,9-10,13H2,1-3H3,(H,27,28)/t14-,15-,16+/m1/s1
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| InChIKey |
RJCVCOCSWGHLMV-OAGGEKHMSA-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