General Information of the Compound
| Compound ID |
CP0963569
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| Compound Name |
(S)-N-benzyl-5-methyl-1-(4-oxo-4,5,6,7-tetrahydro-3H-cyclopenta[d]pyrimidin-2-yl)-N-(1-phenylethyl)-1H-pyrazole-4-carboxamide
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| Structure |
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| Formula |
C27H27N5O2
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| Molecular Weight |
453.546
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| Canonical SMILES |
Cc1c(C(=O)N(Cc2ccccc2)[C@@H](C)c2ccccc2)cnn1-c1nc2c(c(=O)[nH]1)CCC2
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| InChI |
InChI=1S/C27H27N5O2/c1-18(21-12-7-4-8-13-21)31(17-20-10-5-3-6-11-20)26(34)23-16-28-32(19(23)2)27-29-24-15-9-14-22(24)25(33)30-27/h3-8,10-13,16,18H,9,14-15,17H2,1-2H3,(H,29,30,33)/t18-/m0/s1
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| InChIKey |
XUVADMAJXMHMOO-SFHVURJKSA-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