General Information of the Compound
| Compound ID |
CP0387332
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| Compound Name |
N-[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]-2-[6-[(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)sulfanylmethyl]pyridin-3-yl]-1,3-thiazole-4-carboxamide
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| Structure |
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| Formula |
C23H26N6O3S2
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| Molecular Weight |
498.634
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| Canonical SMILES |
CNC(=O)[C@@H](NC(=O)c1csc(n1)-c1ccc(CSc2nc3CCCc3c(=O)[nH]2)nc1)C(C)C
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| InChI |
InChI=1S/C23H26N6O3S2/c1-12(2)18(21(32)24-3)28-20(31)17-11-33-22(26-17)13-7-8-14(25-9-13)10-34-23-27-16-6-4-5-15(16)19(30)29-23/h7-9,11-12,18H,4-6,10H2,1-3H3,(H,24,32)(H,28,31)(H,27,29,30)/t18-/m0/s1
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| InChIKey |
BHYDCGDLSPFYIZ-SFHVURJKSA-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