General Information of the Compound
| Compound ID |
CP0881160
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| Compound Name |
SID131436519
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| Structure |
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| Formula |
C23H31Cl2N5O3
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| Molecular Weight |
496.439
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| Canonical SMILES |
O=C(Nc1ccc(Cl)c(Cl)c1)N[C@@H]1CC[C@H](CCn2cc(C3CCCCC3)nn2)O[C@H]1CO
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| InChI |
InChI=1S/C23H31Cl2N5O3/c24-18-8-6-16(12-19(18)25)26-23(32)27-20-9-7-17(33-22(20)14-31)10-11-30-13-21(28-29-30)15-4-2-1-3-5-15/h6,8,12-13,15,17,20,22,31H,1-5,7,9-11,14H2,(H2,26,27,32)/t17-,20-,22+/m1/s1
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| InChIKey |
UESSXGKYQCVSOE-ZNLUXHQJSA-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