General Information of the Compound
| Compound ID |
CP0501701
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| Compound Name |
N-[(2-amino-6-chloropyridin-3-yl)methyl]-N-[(Z)-3-[[(Z)-2-[(2-amino-6-chloropyridin-3-yl)methyl-formylamino]-5-hydroxypent-2-en-3-yl]disulfanyl]-5-hydroxypent-2-en-2-yl]formamide
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| Structure |
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| Formula |
C24H30Cl2N6O4S2
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| Molecular Weight |
601.582
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| Canonical SMILES |
C\C(N(Cc1ccc(Cl)nc1N)C=O)=C(/CCO)SS\C(CCO)=C(\C)N(Cc1ccc(Cl)nc1N)C=O
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| InChI |
InChI=1S/C24H30Cl2N6O4S2/c1-15(31(13-35)11-17-3-5-21(25)29-23(17)27)19(7-9-33)37-38-20(8-10-34)16(2)32(14-36)12-18-4-6-22(26)30-24(18)28/h3-6,13-14,33-34H,7-12H2,1-2H3,(H2,27,29)(H2,28,30)/b19-15-,20-16-
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| InChIKey |
WCVFDYCCNYCOMW-IKBKFCNISA-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