General Information of the Compound
| Compound ID |
CP0639562
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| Compound Name |
(1R,3S)-3-(3-(3-(methoxymethyl)-1-methyl-1H-pyrazole-5-carboxamido)-1H-pyrazol-5-yl)cyclopentyl isopropyl(methyl)carbamate
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| Structure |
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| Formula |
C20H30N6O4
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| Molecular Weight |
418.498
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| Canonical SMILES |
COCc1cc(C(=O)Nc2cc([C@H]3CC[C@@H](OC(=O)N(C)C(C)C)C3)[nH]n2)n(C)n1
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| InChI |
InChI=1S/C20H30N6O4/c1-12(2)25(3)20(28)30-15-7-6-13(8-15)16-10-18(23-22-16)21-19(27)17-9-14(11-29-5)24-26(17)4/h9-10,12-13,15H,6-8,11H2,1-5H3,(H2,21,22,23,27)/t13-,15+/m0/s1
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| InChIKey |
MXCVVCABILAXTR-DZGCQCFKSA-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