General Information of the Compound
| Compound ID |
CP0800202
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| Compound Name |
N-{1-[4-((S)-2,6-bis-dimethylamino-hexanoyl)-piperazine-1-carbonyl]-cyclopentyl}-2,4-dichloro-3-(2,4-dimethyl-quinolin-8-yloxymethyl)-benzenesulfonamide
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| Structure |
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| Formula |
C38H52Cl2N6O5S
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| Molecular Weight |
775.844
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| Canonical SMILES |
Cc1cc(C)c2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC4(C(=O)N5CCN(C(=O)[C@H](CCCCN(C)C)N(C)C)CC5)CCCC4)c3Cl)c2n1
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| InChI |
InChI=1S/C38H52Cl2N6O5S/c1-26-24-27(2)41-35-28(26)12-11-14-32(35)51-25-29-30(39)15-16-33(34(29)40)52(49,50)42-38(17-8-9-18-38)37(48)46-22-20-45(21-23-46)36(47)31(44(5)6)13-7-10-19-43(3)4/h11-12,14-16,24,31,42H,7-10,13,17-23,25H2,1-6H3/t31-/m0/s1
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| InChIKey |
SYZOYEODDGOCTH-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