General Information of the Compound
| Compound ID |
CP0702276
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| Compound Name |
(R)-3-(4-(aminomethyl)phenyl)-6-((4-hydroxy-1-(3-phenylbutanoyl)piperidin-4-yl)methyl)-2-methyl-2H-pyrazolo[4,3-d]pyrimidin-7(6H)-one trifluoroacetic acid salt
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| Formula |
C31H35F3N6O5
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| Molecular Weight |
628.652
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| Canonical SMILES |
C[C@H](CC(=O)N1CCC(O)(Cn2cnc3c(-c4ccc(CN)cc4)n(C)nc3c2=O)CC1)c1ccccc1.O=C(O)C(F)(F)F
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| InChI |
InChI=1S/C29H34N6O3.C2HF3O2/c1-20(22-6-4-3-5-7-22)16-24(36)34-14-12-29(38,13-15-34)18-35-19-31-25-26(28(35)37)32-33(2)27(25)23-10-8-21(17-30)9-11-23;3-2(4,5)1(6)7/h3-11,19-20,38H,12-18,30H2,1-2H3;(H,6,7)/t20-;/m1./s1
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| InChIKey |
ZOVBRGGTLZSFEQ-VEIFNGETSA-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