General Information of the Compound
| Compound ID |
CP0159065
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| Compound Name |
N-[(2S)-1-[[(1R,2R)-2-hydroxycyclohexyl]amino]-3-methyl-1-oxobutan-2-yl]-5-[4-[(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)sulfanylmethyl]phenyl]furan-2-carboxamide
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| Structure |
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| Formula |
C30H36N4O5S
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| Molecular Weight |
564.708
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| Canonical SMILES |
CC(C)[C@H](NC(=O)c1ccc(o1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)cc1)C(=O)N[C@@H]1CCCC[C@H]1O
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| InChI |
InChI=1S/C30H36N4O5S/c1-17(2)26(29(38)31-22-7-3-4-9-23(22)35)33-28(37)25-15-14-24(39-25)19-12-10-18(11-13-19)16-40-30-32-21-8-5-6-20(21)27(36)34-30/h10-15,17,22-23,26,35H,3-9,16H2,1-2H3,(H,31,38)(H,33,37)(H,32,34,36)/t22-,23-,26+/m1/s1
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| InChIKey |
QADIHDGYZDXXBY-PLXFJCCSSA-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
Protein ID: PT01276, Collagenase 3
Protein ID: PT00848, Interstitial collagenase
Protein ID: PT00900, Neutrophil collagenase