General Information of the Compound
| Compound ID |
CP0902819
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| Compound Name |
(1S,3R)-3-(3-(2-(6-methoxypyridin-3-yl)acetamido)-1H-pyrazol-5-yl)cyclopentyl (1r,4S)-4-hydroxycyclohexylcarbamate
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| Formula |
C23H31N5O5
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| Molecular Weight |
457.531
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| Canonical SMILES |
COc1ccc(CC(=O)Nc2cc([C@@H]3CC[C@H](OC(=O)N[C@H]4CC[C@H](O)CC4)C3)[nH]n2)cn1
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| InChI |
InChI=1S/C23H31N5O5/c1-32-22-9-2-14(13-24-22)10-21(30)26-20-12-19(27-28-20)15-3-8-18(11-15)33-23(31)25-16-4-6-17(29)7-5-16/h2,9,12-13,15-18,29H,3-8,10-11H2,1H3,(H,25,31)(H2,26,27,28,30)/t15-,16-,17-,18+/m1/s1
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| InChIKey |
UHOXKVIMEROOGG-TVFCKZIOSA-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