General Information of the Compound
| Compound ID |
CP0913644
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| Compound Name |
(S)-4-(3-cyclohexenyl-5-methyl-7-oxo-2-phenyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl)phenyl 2-amino-3-methylbutanoate
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| Formula |
C30H32N4O3
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| Molecular Weight |
496.611
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| Canonical SMILES |
Cc1[nH]c2c(C3=CCCCC3)c(-c3ccccc3)nn2c(=O)c1-c1ccc(OC(=O)[C@@H](N)C(C)C)cc1
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| InChI |
InChI=1S/C30H32N4O3/c1-18(2)26(31)30(36)37-23-16-14-21(15-17-23)24-19(3)32-28-25(20-10-6-4-7-11-20)27(33-34(28)29(24)35)22-12-8-5-9-13-22/h5,8-10,12-18,26,32H,4,6-7,11,31H2,1-3H3/t26-/m0/s1
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| InChIKey |
SFKBECBKVKTJIQ-SANMLTNESA-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