General Information of the Compound
| Compound ID |
CP0951945
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| Compound Name |
(3R,5S)-N,N,3,5-tetramethyl-4-[3-[6-[(3R)-3-methylpiperazin-1-yl]-3-pyridyl]-1H-pyrazolo[4,3-d]pyrimidin-5-yl]piperazine-1-carboxamide
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| Structure |
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| Formula |
C24H34N10O
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| Molecular Weight |
478.605
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| Canonical SMILES |
C[C@@H]1CN(c2ccc(-c3n[nH]c4cnc(N5[C@H](C)CN(C(=O)N(C)C)C[C@@H]5C)nc34)cn2)CCN1
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| InChI |
InChI=1S/C24H34N10O/c1-15-12-32(9-8-25-15)20-7-6-18(10-26-20)21-22-19(29-30-21)11-27-23(28-22)34-16(2)13-33(14-17(34)3)24(35)31(4)5/h6-7,10-11,15-17,25H,8-9,12-14H2,1-5H3,(H,29,30)/t15-,16-,17+/m1/s1
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| InChIKey |
RWYJMMHOMKOPEY-ZACQAIPSSA-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