General Information of the Compound
| Compound ID |
CP0449891
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| Compound Name |
1-[(2R)-6-amino-2-(dimethoxymethyl)-2,3-dimethyl-3,4-dihydrochromen-4-yl]-2-benzyl-3-cyanoguanidine
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| Structure |
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| Formula |
C23H29N5O3
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| Molecular Weight |
423.517
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| Canonical SMILES |
COC(OC)[C@]1(C)Oc2ccc(N)cc2C(N=C(NCc2ccccc2)NC#N)C1C
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| InChI |
InChI=1S/C23H29N5O3/c1-15-20(28-22(27-14-24)26-13-16-8-6-5-7-9-16)18-12-17(25)10-11-19(18)31-23(15,2)21(29-3)30-4/h5-12,15,20-21H,13,25H2,1-4H3,(H2,26,27,28)/t15?,20?,23-/m1/s1
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| InChIKey |
DDKVUJQTIBXNHQ-PUKAKQIMSA-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