General Information of the Compound
| Compound ID |
CP0914670
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| Compound Name |
N-[6-[[3,4-dioxo-2-[3-[3-(1-piperidylmethyl)phenoxy]propylamino]cyclobuten-1-yl]amino]hexyl]-2,3-ditritio-propanamide
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| Structure |
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| Formula |
C28H42N4O4
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| Molecular Weight |
502.6840986
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| Canonical SMILES |
[3H]CC([3H])C(=O)NCCCCCCNc1c(NCCCOc2cccc(CN3CCCCC3)c2)c(=O)c1=O
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| InChI |
InChI=1S/C28H42N4O4/c1-2-24(33)29-14-6-3-4-7-15-30-25-26(28(35)27(25)34)31-16-11-19-36-23-13-10-12-22(20-23)21-32-17-8-5-9-18-32/h10,12-13,20,30-31H,2-9,11,14-19,21H2,1H3,(H,29,33)/i1T,2T
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| InChIKey |
DLBVMWNFNDYKEN-RVQWGROCSA-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