General Information of the Compound
| Compound ID |
CP0533457
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| Compound Name |
(R)-3-(2,6-Dimethyl-pyrimidin-4-ylamino)-pyrrolidine-1-carboxylic acid 5-carbamoyl-adamantan-2-yl ester
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| Formula |
C22H31N5O3
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| Molecular Weight |
413.522
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| Canonical SMILES |
Cc1cc(N[C@@H]2CCN(C2)C(=O)O[C@H]2C3CC4CC2C[C@](C4)(C3)C(N)=O)nc(C)n1
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| InChI |
InChI=1S/C22H31N5O3/c1-12-5-18(25-13(2)24-12)26-17-3-4-27(11-17)21(29)30-19-15-6-14-7-16(19)10-22(8-14,9-15)20(23)28/h5,14-17,19H,3-4,6-11H2,1-2H3,(H2,23,28)(H,24,25,26)/t14?,15?,16?,17-,19-,22-/m1/s1
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| InChIKey |
DAWLFKQCVONEDS-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