General Information of the Compound
| Compound ID |
CP0483534
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| Compound Name |
1-[[(2R,3S,4S,5R,6R)-6-[4-chloro-3-[(4-cyclopropylphenyl)methyl]indol-1-yl]-3,4,5-trihydroxyoxan-2-yl]methyl]-3-(2-chloroethyl)urea
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| Structure |
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| Formula |
C27H31Cl2N3O5
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| Molecular Weight |
548.467
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| Canonical SMILES |
O[C@@H]1[C@@H](CNC(=O)NCCCl)O[C@H]([C@H](O)[C@H]1O)n1cc(Cc2ccc(cc2)C2CC2)c2c(Cl)cccc12
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| InChI |
InChI=1S/C27H31Cl2N3O5/c28-10-11-30-27(36)31-13-21-23(33)24(34)25(35)26(37-21)32-14-18(22-19(29)2-1-3-20(22)32)12-15-4-6-16(7-5-15)17-8-9-17/h1-7,14,17,21,23-26,33-35H,8-13H2,(H2,30,31,36)/t21-,23-,24+,25-,26-/m1/s1
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| InChIKey |
YGEARPRQNRWJTC-XDXGNBCUSA-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