General Information of the Compound
| Compound ID |
CP0959604
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| Compound Name |
(R)-2,3-Dimethyl-4-(3-propiolamidopiperidin-1-yl)-1H-indole-7-carboxamide
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| Structure |
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| Formula |
C19H22N4O2
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| Molecular Weight |
338.411
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| Canonical SMILES |
C#CC(=O)N[C@@H]1CCCN(c2ccc(C(N)=O)c3[nH]c(C)c(C)c23)C1
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| InChI |
InChI=1S/C19H22N4O2/c1-4-16(24)22-13-6-5-9-23(10-13)15-8-7-14(19(20)25)18-17(15)11(2)12(3)21-18/h1,7-8,13,21H,5-6,9-10H2,2-3H3,(H2,20,25)(H,22,24)/t13-/m1/s1
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| InChIKey |
KOPOYDUMMWHQPD-CYBMUJFWSA-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