General Information of the Compound
| Compound ID |
CP0117836
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| Compound Name |
5-[3-fluoro-4-[(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)sulfanylmethyl]phenyl]-N-[(1S)-2-(methylamino)-1-(oxan-4-yl)-2-oxoethyl]furan-2-carboxamide
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| Structure |
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| Formula |
C27H29FN4O5S
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| Molecular Weight |
540.617
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| Canonical SMILES |
CNC(=O)[C@@H](NC(=O)c1ccc(o1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)c(F)c1)C1CCOCC1
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| InChI |
InChI=1S/C27H29FN4O5S/c1-29-26(35)23(15-9-11-36-12-10-15)31-25(34)22-8-7-21(37-22)16-5-6-17(19(28)13-16)14-38-27-30-20-4-2-3-18(20)24(33)32-27/h5-8,13,15,23H,2-4,9-12,14H2,1H3,(H,29,35)(H,31,34)(H,30,32,33)/t23-/m0/s1
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| InChIKey |
SOPBVJMMDDZVHQ-QHCPKHFHSA-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