General Information of the Compound
| Compound ID |
CP0572357
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| Compound Name |
US9163012, 29
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| Formula |
C23H28ClN5O4
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| Molecular Weight |
473.961
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| Canonical SMILES |
Cn1c2cc(Cl)cnc2n([C@@H]2CCN(C2)C(=O)O[C@H]2C3CC4CC2C[C@](C4)(C3)C(N)=O)c1=O
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| InChI |
InChI=1S/C23H28ClN5O4/c1-27-17-6-15(24)10-26-19(17)29(21(27)31)16-2-3-28(11-16)22(32)33-18-13-4-12-5-14(18)9-23(7-12,8-13)20(25)30/h6,10,12-14,16,18H,2-5,7-9,11H2,1H3,(H2,25,30)/t12?,13?,14?,16-,18-,23-/m1/s1
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| InChIKey |
LSJUMBAJBACGRA-CLLOHHIPSA-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