General Information of the Compound
| Compound ID |
CP0675472
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| Compound Name |
N-[4-(1,2,3,4-Tetrahydro-5-methoxy-carbolin-2-yl)butyl]isoquinoline-3-carboxamide
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| Structure |
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| Formula |
C26H30N4O2
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| Molecular Weight |
430.552
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| Canonical SMILES |
COc1cccc2c1C1CCN(CCCCNC(=O)C3=Cc4ccccc4CN3)CC1=N2
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| InChI |
InChI=1S/C26H30N4O2/c1-32-24-10-6-9-21-25(24)20-11-14-30(17-23(20)29-21)13-5-4-12-27-26(31)22-15-18-7-2-3-8-19(18)16-28-22/h2-3,6-10,15,20,28H,4-5,11-14,16-17H2,1H3,(H,27,31)
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| InChIKey |
ULYVPXBJTVSSBH-UHFFFAOYSA-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