General Information of the Compound
| Compound ID |
CP0910800
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| Compound Name |
(3R,4S)-4-(4-benzylpiperazin-1-yl)-3-hydroxy-2,2-dimethyl-3,4-dihydrochromene-6-carbonitrile
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| Structure |
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| Formula |
C23H27N3O2
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| Molecular Weight |
377.488
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| Canonical SMILES |
CC1(C)Oc2ccc(C#N)cc2[C@H](N2CCN(Cc3ccccc3)CC2)[C@H]1O
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| InChI |
InChI=1S/C23H27N3O2/c1-23(2)22(27)21(19-14-18(15-24)8-9-20(19)28-23)26-12-10-25(11-13-26)16-17-6-4-3-5-7-17/h3-9,14,21-22,27H,10-13,16H2,1-2H3/t21-,22+/m0/s1
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| InChIKey |
VVVZKUCUNNBEST-FCHUYYIVSA-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