General Information of the Compound
| Compound ID |
CP0062956
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| Compound Name |
2a-[3-(4-Phenyl-piperazin-1-yl)-propyl]-2a,3,4,5-tetrahydro-1H-benzo[cd]indol-2-one
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| Structure |
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| Formula |
C24H29N3O
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| Molecular Weight |
375.516
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| Canonical SMILES |
O=C1Nc2cccc3CCCC1(CCCN1CCN(CC1)c1ccccc1)c23
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| InChI |
InChI=1S/C24H29N3O/c28-23-24(12-5-8-19-7-4-11-21(25-23)22(19)24)13-6-14-26-15-17-27(18-16-26)20-9-2-1-3-10-20/h1-4,7,9-11H,5-6,8,12-18H2,(H,25,28)
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| InChIKey |
ZKCBADGEPVBDQI-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