General Information of the Compound
| Compound ID |
CP0894367
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| Compound Name |
4-[4-({(3R)-3-[(R)-Cyclohexyl(hydroxy)methyl]-2,5-dioxo-1-propyl-1,4,9-triazaspiro[5.5]undec-9-yl}methyl)phenoxy]-N-methylbenzamide hydrochloride
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| Structure |
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| Formula |
C33H45ClN4O5
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| Molecular Weight |
613.199
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| Canonical SMILES |
CCCN1C(=O)[C@@H]([C@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)NC)cc3)cc1)CC2.Cl
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| InChI |
InChI=1S/C33H44N4O5.ClH/c1-3-19-37-31(40)28(29(38)24-7-5-4-6-8-24)35-32(41)33(37)17-20-36(21-18-33)22-23-9-13-26(14-10-23)42-27-15-11-25(12-16-27)30(39)34-2;/h9-16,24,28-29,38H,3-8,17-22H2,1-2H3,(H,34,39)(H,35,41);1H/t28-,29-;/m1./s1
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| InChIKey |
FNAGOPQVBGMMDV-PQQSRXGVSA-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