General Information of the Compound
| Compound ID |
CP0919572
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| Compound Name |
4-(4-{[(3S)-1-Butyl-3-(cyclohexylmethyl)-2,5-dioxo-1,4,9-triazaspiro[5.5]undec-9-yl]methyl}phenoxy)-N-methylbenzamidehydrochloride
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| Structure |
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| Formula |
C34H47ClN4O4
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| Molecular Weight |
611.227
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| Canonical SMILES |
CCCCN1C(=O)[C@H](CC2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)NC)cc3)cc1)CC2.Cl
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| InChI |
InChI=1S/C34H46N4O4.ClH/c1-3-4-20-38-32(40)30(23-25-8-6-5-7-9-25)36-33(41)34(38)18-21-37(22-19-34)24-26-10-14-28(15-11-26)42-29-16-12-27(13-17-29)31(39)35-2;/h10-17,25,30H,3-9,18-24H2,1-2H3,(H,35,39)(H,36,41);1H/t30-;/m0./s1
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| InChIKey |
JMUHJCSDWYRZBY-CZCBIWLKSA-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