General Information of the Compound
| Compound ID |
CP0484124
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| Compound Name |
5-methyl-N-[2-methyl-4-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]-1H-pyrazole-3-carboxamide
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| Structure |
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| Formula |
C21H29N5O
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| Molecular Weight |
367.497
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| Canonical SMILES |
C[C@H]1CCCN1[C@H]1CCN(C1)c1ccc(NC(=O)c2cc(C)n[nH]2)c(C)c1
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| InChI |
InChI=1S/C21H29N5O/c1-14-11-17(25-10-8-18(13-25)26-9-4-5-16(26)3)6-7-19(14)22-21(27)20-12-15(2)23-24-20/h6-7,11-12,16,18H,4-5,8-10,13H2,1-3H3,(H,22,27)(H,23,24)/t16-,18-/m0/s1
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| InChIKey |
MAVCXANXGDWPJD-WMZOPIPTSA-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