General Information of the Compound
| Compound ID |
CP0950697
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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]piperazin-1-yl]-pyrrolidin-1-yl-methanone
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| Structure |
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| Formula |
C26H36N10O
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| Molecular Weight |
504.643
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| Canonical SMILES |
C[C@@H]1CN(c2ccc(-c3n[nH]c4cnc(N5[C@H](C)CN(C(=O)N6CCCC6)C[C@@H]5C)nc34)cn2)CCN1
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| InChI |
InChI=1S/C26H36N10O/c1-17-14-34(11-8-27-17)22-7-6-20(12-28-22)23-24-21(31-32-23)13-29-25(30-24)36-18(2)15-35(16-19(36)3)26(37)33-9-4-5-10-33/h6-7,12-13,17-19,27H,4-5,8-11,14-16H2,1-3H3,(H,31,32)/t17-,18-,19+/m1/s1
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| InChIKey |
WOAXRKYXUKTLEM-QRVBRYPASA-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