General Information of the Compound
| Compound ID |
CP0060925
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| Compound Name |
(R)-3-(5-Cyano-pyridin-2-ylamino)-pyrrolidine-1-carboxylic acid 5-carbamoyl-adamantan-2-yl ester
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| Formula |
C22H27N5O3
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| Molecular Weight |
409.49
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| Canonical SMILES |
NC(=O)[C@@]12CC3CC(C1)[C@H](OC(=O)N1CC[C@H](C1)Nc1ccc(cn1)C#N)C(C3)C2
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| InChI |
InChI=1S/C22H27N5O3/c23-10-13-1-2-18(25-11-13)26-17-3-4-27(12-17)21(29)30-19-15-5-14-6-16(19)9-22(7-14,8-15)20(24)28/h1-2,11,14-17,19H,3-9,12H2,(H2,24,28)(H,25,26)/t14?,15?,16?,17-,19-,22-/m1/s1
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| InChIKey |
KYQVHOMHIXJGBI-DOVRNEMHSA-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