General Information of the Compound
| Compound ID |
CP0967056
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| Compound Name |
methyl(3R,5S)-3,5-dimethyl-4-[3-[6-[(3R)-3-methylpiperazin-1-yl]-3-pyridyl]-1H-pyrazolo[4,3-d]pyrimidin-5-yl]piperazine-1-carboxylate
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| Structure |
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| Formula |
C23H31N9O2
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| Molecular Weight |
465.562
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| Canonical SMILES |
COC(=O)N1C[C@@H](C)N(c2ncc3[nH]nc(-c4ccc(N5CCN[C@H](C)C5)nc4)c3n2)[C@@H](C)C1
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| InChI |
InChI=1S/C23H31N9O2/c1-14-11-30(8-7-24-14)19-6-5-17(9-25-19)20-21-18(28-29-20)10-26-22(27-21)32-15(2)12-31(13-16(32)3)23(33)34-4/h5-6,9-10,14-16,24H,7-8,11-13H2,1-4H3,(H,28,29)/t14-,15-,16+/m1/s1
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| InChIKey |
KIAKJNRDKPGTQR-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
Protein ID: PT01129, Activin receptor type-1
Protein ID: PT06765, Hepcidin