General Information of the Compound
| Compound ID |
CP0440674
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| Compound Name |
13-chloro-2-[1-(cyclopentylmethyl)piperidin-4-ylidene]-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
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| Structure |
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| Formula |
C25H29ClN2
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| Molecular Weight |
392.974
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| Canonical SMILES |
Clc1ccc2c(CCc3cccnc3C2=C2CCN(CC3CCCC3)CC2)c1
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| InChI |
InChI=1S/C25H29ClN2/c26-22-9-10-23-21(16-22)8-7-20-6-3-13-27-25(20)24(23)19-11-14-28(15-12-19)17-18-4-1-2-5-18/h3,6,9-10,13,16,18H,1-2,4-5,7-8,11-12,14-15,17H2
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| InChIKey |
RUZGIYPBWYOASB-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