General Information of the Compound
| Compound ID |
CP0391955
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| Compound Name |
[4-[5-[2,5-dichloro-4-[[(4R)-4-(4-cyclopropyl-2,3-dihydroquinoxaline-1-carbonyl)-1,3-thiazolidin-3-yl]methyl]phenyl]pentylcarbamoyl]piperazin-1-yl]methylphosphonic acid
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| Structure |
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| Formula |
C33H45Cl2N6O5PS
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| Molecular Weight |
739.707
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| Canonical SMILES |
OP(O)(=O)CN1CCN(CC1)C(=O)NCCCCCc1cc(Cl)c(CN2CSC[C@H]2C(=O)N2CCN(C3CC3)c3ccccc23)cc1Cl
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| InChI |
InChI=1S/C33H45Cl2N6O5PS/c34-27-19-25(20-39-23-48-21-31(39)32(42)41-17-16-40(26-9-10-26)29-7-3-4-8-30(29)41)28(35)18-24(27)6-2-1-5-11-36-33(43)38-14-12-37(13-15-38)22-47(44,45)46/h3-4,7-8,18-19,26,31H,1-2,5-6,9-17,20-23H2,(H,36,43)(H2,44,45,46)/t31-/m0/s1
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| InChIKey |
IDXMSDLKOBBRPU-HKBQPEDESA-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