General Information of the Compound
| Compound ID |
CP0498595
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| Compound Name |
(S)-2-[(3-{3-[(5-Chloro-1,3-dimethyl-1H-pyrazol-4-ylmethyl)-amino]-benzenesulfonylamino}-thiophene-2-carbonyl)-amino]-5-guanidino-pentanoic acid
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| Structure |
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| Formula |
C23H29ClN8O5S2
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| Molecular Weight |
597.123
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| Canonical SMILES |
Cc1nn(C)c(Cl)c1CNc1cccc(c1)S(=O)(=O)Nc1ccsc1C(=O)N[C@@H](CCCN=C(N)N)C(O)=O
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| InChI |
InChI=1S/C23H29ClN8O5S2/c1-13-16(20(24)32(2)30-13)12-28-14-5-3-6-15(11-14)39(36,37)31-17-8-10-38-19(17)21(33)29-18(22(34)35)7-4-9-27-23(25)26/h3,5-6,8,10-11,18,28,31H,4,7,9,12H2,1-2H3,(H,29,33)(H,34,35)(H4,25,26,27)/t18-/m0/s1
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| InChIKey |
FOYHTZQRCFVQSQ-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