General Information of the Compound
| Compound ID |
CP0203027
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| Compound Name |
(3S)-3-(5-chloro-4-(1H-indol-3-yl)pyrimidin-2-ylamino)-N-ethylpiperidine-1-carboxamide
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| Structure |
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| Formula |
C20H23ClN6O
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| Molecular Weight |
398.898
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| Canonical SMILES |
CCNC(=O)N1CCC[C@@H](C1)Nc1ncc(Cl)c(n1)-c1c[nH]c2ccccc12
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| InChI |
InChI=1S/C20H23ClN6O/c1-2-22-20(28)27-9-5-6-13(12-27)25-19-24-11-16(21)18(26-19)15-10-23-17-8-4-3-7-14(15)17/h3-4,7-8,10-11,13,23H,2,5-6,9,12H2,1H3,(H,22,28)(H,24,25,26)/t13-/m0/s1
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| InChIKey |
YTPKEJXVUUNXRA-ZDUSSCGKSA-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