General Information of the Compound
| Compound ID |
CP0639211
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| Compound Name |
(1R,3S)-3-(3-(2-(2-methylthiazol-5-yl)acetamido)-1H-pyrazol-5-yl)cyclopentyl isopropylcarbamate
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| Structure |
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| Formula |
C18H25N5O3S
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| Molecular Weight |
391.497
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| Canonical SMILES |
Cc1ncc(CC(=O)Nc2cc([C@H]3CC[C@@H](OC(=O)NC(C)C)C3)[nH]n2)s1
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| InChI |
InChI=1S/C18H25N5O3S/c1-10(2)20-18(25)26-13-5-4-12(6-13)15-8-16(23-22-15)21-17(24)7-14-9-19-11(3)27-14/h8-10,12-13H,4-7H2,1-3H3,(H,20,25)(H2,21,22,23,24)/t12-,13+/m0/s1
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| InChIKey |
UUPJXVBCBPIVKZ-QWHCGFSZSA-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