General Information of the Compound
| Compound ID |
CP0930466
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| Compound Name |
2-(12-Chloro-6,6-dioxo-5,6-dihydro-6lambda6-thia-4,5-diaza-chrysen-9-ylamino)-propane-1,3-diol
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| Structure |
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| Formula |
C18H16ClN3O4S
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| Molecular Weight |
405.863
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| Canonical SMILES |
O=S1(=O)Nc2c(cc(Cl)c3cccnc23)-c2cc(NC(CO)CO)ccc21
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| InChI |
InChI=1S/C18H16ClN3O4S/c19-15-7-14-13-6-10(21-11(8-23)9-24)3-4-16(13)27(25,26)22-18(14)17-12(15)2-1-5-20-17/h1-7,11,21-24H,8-9H2
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| InChIKey |
KJYRIHAYCJYYEJ-UHFFFAOYSA-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