General Information of the Compound
| Compound ID |
CP0569328
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| Compound Name |
CHEMBL5206549
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| Formula |
C28H35N7O5S
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| Molecular Weight |
581.699
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| Canonical SMILES |
C[C@@H](C1CC1)N1Cc2cc(cc(NS(C)(=O)=O)c2C1=O)-c1ccn2nc(N)c(C(=O)N[C@H]3CC[C@](C)(O)CC3)c2n1
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| InChI |
InChI=1S/C28H35N7O5S/c1-15(16-4-5-16)34-14-18-12-17(13-21(22(18)27(34)37)33-41(3,39)40)20-8-11-35-25(31-20)23(24(29)32-35)26(36)30-19-6-9-28(2,38)10-7-19/h8,11-13,15-16,19,33,38H,4-7,9-10,14H2,1-3H3,(H2,29,32)(H,30,36)/t15-,19-,28-/m0/s1
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| InChIKey |
VRGFZOXHCPIFTF-WLNXWIOISA-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